N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C31H28FN7O — CID 145308120

IUPACN-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C2=C(N)Cc4c(cncc4-c4ccccc4F)N2)nn3C)c1
InChIInChI=1S/C31H28FN7O/c1-17(2)31(40)36-20-10-19(13-34-14-20)18-8-9-28-23(11-18)29(38-39(28)3)30-26(33)12-22-24(15-35-16-27(22)37-30)21-6-4-5-7-25(21)32/h4-11,13-17,37H,12,33H2,1-3H3,(H,36,40)
InChIKeyWNONISIRKGPTKV-UHFFFAOYSA-N
MW533.61 g/mol
LogP5.73
Rot. Bonds5

About N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145308120) has the molecular formula C31H28FN7O and a molecular weight of 533.61 g/mol. Its IUPAC name is N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID145308120
Molecular FormulaC31H28FN7O
Molecular Weight533.61 g/mol
Exact Mass533.23
IUPAC NameN-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C2=C(N)Cc4c(cncc4-c4ccccc4F)N2)nn3C)c1
InChIInChI=1S/C31H28FN7O/c1-17(2)31(40)36-20-10-19(13-34-14-20)18-8-9-28-23(11-18)29(38-39(28)3)30-26(33)12-22-24(15-35-16-27(22)37-30)21-6-4-5-7-25(21)32/h4-11,13-17,37H,12,33H2,1-3H3,(H,36,40)
InChIKeyWNONISIRKGPTKV-UHFFFAOYSA-N
XLogP5.73
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.61
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]benzamide
CID 145248189
5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 159513309
N-[3-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-methylpropanamide
CID 166866282
N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145245632
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 158347967
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137116869
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136643183
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116750
2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine
CID 145035906
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159126438
N-[5-[3-[4-(2-fluorophenyl)-3-methyl-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137083787
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137112075

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145308120) is N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C2=C(N)Cc4c(cncc4-c4ccccc4F)N2)nn3C)c1.
What is the InChIKey of N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is WNONISIRKGPTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN7O/c1-17(2)31(40)36-20-10-19(13-34-14-20)18-8-9-28-23(11-18)29(38-39(28)3)30-26(33)12-22-24(15-35-16-27(22)37-30)21-6-4-5-7-25(21)32/h4-11,13-17,37H,12,33H2,1-3H3,(H,36,40).
What are the key properties of N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 533.61 g/mol, XLogP of 5.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145308120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).