N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

C29H35N7O2 — CID 149178905

IUPACN-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C29H35N7O2/c1-20-22(13-23(15-31-20)28(38)30-10-12-35-11-6-5-9-29(35,2)3)14-27(37)25-17-33-36-19-21(7-8-26(25)36)24-16-32-34(4)18-24/h7-8,13,15-19H,5-6,9-12,14H2,1-4H3,(H,30,38)
InChIKeyXAODYOZABPRQQX-UHFFFAOYSA-N
MW513.65 g/mol
LogP3.86
Rot. Bonds8

About N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 149178905) has the molecular formula C29H35N7O2 and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID149178905
Molecular FormulaC29H35N7O2
Molecular Weight513.65 g/mol
Exact Mass513.29
IUPAC NameN-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C29H35N7O2/c1-20-22(13-23(15-31-20)28(38)30-10-12-35-11-6-5-9-29(35,2)3)14-27(37)25-17-33-36-19-21(7-8-26(25)36)24-16-32-34(4)18-24/h7-8,13,15-19H,5-6,9-12,14H2,1-4H3,(H,30,38)
InChIKeyXAODYOZABPRQQX-UHFFFAOYSA-N
XLogP3.86
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Edecesertib
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4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
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1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 15958787
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 149178905) is N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is XAODYOZABPRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2/c1-20-22(13-23(15-31-20)28(38)30-10-12-35-11-6-5-9-29(35,2)3)14-27(37)25-17-33-36-19-21(7-8-26(25)36)24-16-32-34(4)18-24/h7-8,13,15-19H,5-6,9-12,14H2,1-4H3,(H,30,38).
What are the key properties of N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 513.65 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 149178905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).