6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C23H28ClN7O2 — CID 139508264

IUPAC6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1
InChIInChI=1S/C23H28ClN7O2/c1-13(2)29-20-8-19(17-11-28-31-12-15(24)9-27-21(17)31)26-10-18(20)23(33)30-16-6-4-14(5-7-16)22(32)25-3/h8-14,16H,4-7H2,1-3H3,(H,25,32)(H,26,29)(H,30,33)
InChIKeyNCYISWIEQQSSSE-UHFFFAOYSA-N
MW469.98 g/mol
LogP3.30
Rot. Bonds6

About 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508264) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID139508264
Molecular FormulaC23H28ClN7O2
Molecular Weight469.98 g/mol
Exact Mass469.20
IUPAC Name6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1
InChIInChI=1S/C23H28ClN7O2/c1-13(2)29-20-8-19(17-11-28-31-12-15(24)9-27-21(17)31)26-10-18(20)23(33)30-16-6-4-14(5-7-16)22(32)25-3/h8-14,16H,4-7H2,1-3H3,(H,25,32)(H,26,29)(H,30,33)
InChIKeyNCYISWIEQQSSSE-UHFFFAOYSA-N
XLogP3.30
TPSA113.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-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

N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508290
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-fluoropropan-2-yl]amino]pyridine-3-carboxamide
CID 139508096
4-[[(2S)-butan-2-yl]amino]-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139517462
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(3-fluorobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139507985
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
CID 145219422
4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349555
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-2-hydroxybutyl]amino]pyridine-3-carboxamide
CID 139508206
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 139508275
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 139508240
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-[[1-(2-cyclobutyloxetan-3-yl)pyrazol-4-yl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139517449
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672769

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 139508264) is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CNC(=O)C1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1.
What is the InChIKey of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is NCYISWIEQQSSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O2/c1-13(2)29-20-8-19(17-11-28-31-12-15(24)9-27-21(17)31)26-10-18(20)23(33)30-16-6-4-14(5-7-16)22(32)25-3/h8-14,16H,4-7H2,1-3H3,(H,25,32)(H,26,29)(H,30,33).
What are the key properties of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).