N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C32H40N8O2 — CID 159390923

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1.Cc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1
InChIInChI=1S/2C16H20N4O/c2*1-11-2-3-15-13(8-17-20(15)9-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2*2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21)
InChIKeyLMCGFJATUYKUSV-UHFFFAOYSA-N
MW568.73 g/mol
LogP2.93
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 159390923) has the molecular formula C32H40N8O2 and a molecular weight of 568.73 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID159390923
Molecular FormulaC32H40N8O2
Molecular Weight568.73 g/mol
Exact Mass568.33
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1.Cc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1
InChIInChI=1S/2C16H20N4O/c2*1-11-2-3-15-13(8-17-20(15)9-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2*2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21)
InChIKeyLMCGFJATUYKUSV-UHFFFAOYSA-N
XLogP2.93
TPSA99.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
Ethyl 4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 5309075
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
1-[4-[4-[4-[2-(1H-indazol-6-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798386
1-[4-[4-[4-[2-(1H-indazol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798426
7-(aminomethyl)-2-(2-(quinolin-3-yl)pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 54582534

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 159390923) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1.Cc1ccc2c(C(=O)NC3CN4CCC3CC4)cnn2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LMCGFJATUYKUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N4O/c2*1-11-2-3-15-13(8-17-20(15)9-11)16(21)18-14-10-19-6-4-12(14)5-7-19/h2*2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 568.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 159390923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).