3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

C31H33ClN8O2 — CID 167072242

IUPAC3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)CC1
InChIInChI=1S/C31H33ClN8O2/c1-30(37-29(41)27-25(32)4-3-11-34-27)7-12-39(13-8-30)26-6-5-21(18-35-26)24-16-23(38-14-9-31(2,42)10-15-38)20-40-28(24)22(17-33)19-36-40/h3-6,11,16,18-20,42H,7-10,12-15H2,1-2H3,(H,37,41)
InChIKeyWNQUVEQWVHNBGX-UHFFFAOYSA-N
MW585.11 g/mol
LogP4.46
Rot. Bonds5

About 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 167072242) has the molecular formula C31H33ClN8O2 and a molecular weight of 585.11 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID167072242
Molecular FormulaC31H33ClN8O2
Molecular Weight585.11 g/mol
Exact Mass584.24
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)CC1
InChIInChI=1S/C31H33ClN8O2/c1-30(37-29(41)27-25(32)4-3-11-34-27)7-12-39(13-8-30)26-6-5-21(18-35-26)24-16-23(38-14-9-31(2,42)10-15-38)20-40-28(24)22(17-33)19-36-40/h3-6,11,16,18-20,42H,7-10,12-15H2,1-2H3,(H,37,41)
InChIKeyWNQUVEQWVHNBGX-UHFFFAOYSA-N
XLogP4.46
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.11
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-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

3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134435978
tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate
CID 155301261
3-chloro-N-[1-[5-[3-cyano-6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167556074
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(5S)-4,5-dimethyl-1,4-diazepan-1-yl]methyl]piperidin-4-yl]pyridine-2-carboxamide;sulfane
CID 167651764
N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434698
N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134436221
4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435397
3-chloro-N-[1-[5-[3-cyano-6-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide;6-[(3S)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(3R)-3-hydroxybut-1-ynyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167553523
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 134497168
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
CID 134436097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 167072242) is 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(O)CCN(c2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)CC1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is WNQUVEQWVHNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O2/c1-30(37-29(41)27-25(32)4-3-11-34-27)7-12-39(13-8-30)26-6-5-21(18-35-26)24-16-23(38-14-9-31(2,42)10-15-38)20-40-28(24)22(17-33)19-36-40/h3-6,11,16,18-20,42H,7-10,12-15H2,1-2H3,(H,37,41).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 585.11 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167072242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).