Name: Name:(S)-7-ethyl-2-(2-(4-fluorophenyl)-1H-imidazol-1-yl)-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydropteridin-6(5H)-one
Brand: Angene
SKU: AG01DGGT
Rating: 90 (10 reviews)

(S)-7-ethyl-2-(2-(4-fluorophenyl)-1H-imidazol-1-yl)-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydropteridin-6(5H)-one

CAS No.:

1313519-84-4

Catalog Number:

AG01DGGT

Molecular Formula:

C22H21FN8O

Molecular Weight:

432.4535

Catalog Number:

AG01DGGT

Chemical Name:

(S)-7-ethyl-2-(2-(4-fluorophenyl)-1H-imidazol-1-yl)-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydropteridin-6(5H)-one

CAS Number:

1313519-84-4

Molecular Formula:

C22H21FN8O

Molecular Weight:

432.4535

MDL Number:

MFCD30527568

IUPAC Name:

(7S)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-3-yl)-7H-pteridin-6-one

InChI:

InChI=1S/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/m0/s1

InChI Key:

JMVCDNFYMJCUDW-INIZCTEOSA-N

SMILES:

CC[C@@H]1N(c2ccn(n2)C)c2nc(ncc2N(C1=O)C)n1ccnc1c1ccc(cc1)F

Complexity:

676

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

432.182g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

432.463g/mol

Monoisotopic Mass:

432.182g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8