N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

C22H21FN6O2 — CID 118974572

IUPACN-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)nc1
InChIInChI=1S/C22H21FN6O2/c1-12-25-11-15-19(27-12)9-22(2,29-20(15)24)16-8-13(4-6-17(16)23)28-21(30)18-7-5-14(31-3)10-26-18/h4-8,10-11H,9H2,1-3H3,(H2,24,29)(H,28,30)/t22-/m0/s1
InChIKeyRYNQXOFNKMCIHH-QFIPXVFZSA-N
MW420.45 g/mol
LogP2.76
Rot. Bonds4

About N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 118974572) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
PubChem CID118974572
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)nc1
InChIInChI=1S/C22H21FN6O2/c1-12-25-11-15-19(27-12)9-22(2,29-20(15)24)16-8-13(4-6-17(16)23)28-21(30)18-7-5-14(31-3)10-26-18/h4-8,10-11H,9H2,1-3H3,(H2,24,29)(H,28,30)/t22-/m0/s1
InChIKeyRYNQXOFNKMCIHH-QFIPXVFZSA-N
XLogP2.76
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316
N-[3-(5-amino-3,6-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123782506
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1,1-dioxo-6-(2,2,2-trifluoroethyl)-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 89095045
N-[3-[(2R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118326732
N-[3-(3,5-diamino-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123358742
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-1,1-dioxo-6-pyridin-2-yl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 89094924
N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272
N-[3-[(7R)-9-amino-7-methyl-2-(4-nitrophenyl)-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 91869946
N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
CID 56969155
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (CID 118974572) is N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)nc1.
What is the InChIKey of N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is RYNQXOFNKMCIHH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-12-25-11-15-19(27-12)9-22(2,29-20(15)24)16-8-13(4-6-17(16)23)28-21(30)18-7-5-14(31-3)10-26-18/h4-8,10-11H,9H2,1-3H3,(H2,24,29)(H,28,30)/t22-/m0/s1.
What are the key properties of N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7S)-5-amino-2,7-dimethyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 118974572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).