(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C19H19N7O — CID 139468746

IUPAC(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)c1[nH]ncc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1
InChIInChI=1S/C19H19N7O/c1-9(2)17-14(8-23-26-17)15-4-10-5-16(22-7-13(10)18(21)24-15)25-19(27)12-3-11(12)6-20/h4-5,7-9,11-12H,3H2,1-2H3,(H2,21,24)(H,23,26)(H,22,25,27)/t11-,12?/m1/s1
InChIKeyGGUSCQPAODHCQY-JHJMLUEUSA-N
MW361.41 g/mol
LogP2.82
Rot. Bonds4

About (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 139468746) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID139468746
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCC(C)c1[nH]ncc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1
InChIInChI=1S/C19H19N7O/c1-9(2)17-14(8-23-26-17)15-4-10-5-16(22-7-13(10)18(21)24-15)25-19(27)12-3-11(12)6-20/h4-5,7-9,11-12H,3H2,1-2H3,(H2,21,24)(H,23,26)(H,22,25,27)/t11-,12?/m1/s1
InChIKeyGGUSCQPAODHCQY-JHJMLUEUSA-N
XLogP2.82
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[8-amino-6-(4-propan-2-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135344416
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
cis-(1S,2S)-N-[8-amino-6-(2-cyanophenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139469002
(1S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139468593
cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157087111
N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448011
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 174158415
trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 139469104
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;(2S)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-propan-2-yl-1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrrol-3-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158707150
(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 159142148
N-[8-amino-6-[4-methyl-5-(propan-2-ylamino)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342904
cis-(1S,2S)-N-[8-amino-6-(5-methyl-2-oxoimidazolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxoimidazolidin-1-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157437599

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 139468746) is (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is CC(C)c1[nH]ncc1-c1cc2cc(NC(=O)C3C[C@@H]3C#N)ncc2c(N)n1.
What is the InChIKey of (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is GGUSCQPAODHCQY-JHJMLUEUSA-N. The full InChI is InChI=1S/C19H19N7O/c1-9(2)17-14(8-23-26-17)15-4-10-5-16(22-7-13(10)18(21)24-15)25-19(27)12-3-11(12)6-20/h4-5,7-9,11-12H,3H2,1-2H3,(H2,21,24)(H,23,26)(H,22,25,27)/t11-,12?/m1/s1.
What are the key properties of (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 139468746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).