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

C23H28ClN7O2 — CID 139508290

IUPACN-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1
InChIInChI=1S/C23H28ClN7O2/c1-13(2)28-21-8-20(18-11-27-31-12-15(24)9-26-22(18)31)25-10-19(21)23(33)30-17-6-4-16(5-7-17)29-14(3)32/h8-13,16-17H,4-7H2,1-3H3,(H,25,28)(H,29,32)(H,30,33)
InChIKeyZAIKAFPUCQMHBM-UHFFFAOYSA-N
MW469.98 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508290) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID139508290
Molecular FormulaC23H28ClN7O2
Molecular Weight469.98 g/mol
Exact Mass469.20
IUPAC NameN-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1
InChIInChI=1S/C23H28ClN7O2/c1-13(2)28-21-8-20(18-11-27-31-12-15(24)9-26-22(18)31)25-10-19(21)23(33)30-17-6-4-16(5-7-17)29-14(3)32/h8-13,16-17H,4-7H2,1-3H3,(H,25,28)(H,29,32)(H,30,33)
InChIKeyZAIKAFPUCQMHBM-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508264
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
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-(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-(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-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
4-(4-carbamoylanilino)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139508043
N-[(1R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-5-methylthiophene-2-carboxamide
CID 163802500

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 139508290) is N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(=O)NC1CCC(NC(=O)c2cnc(-c3cnn4cc(Cl)cnc34)cc2NC(C)C)CC1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is ZAIKAFPUCQMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O2/c1-13(2)28-21-8-20(18-11-27-31-12-15(24)9-26-22(18)31)25-10-19(21)23(33)30-17-6-4-16(5-7-17)29-14(3)32/h8-13,16-17H,4-7H2,1-3H3,(H,25,28)(H,29,32)(H,30,33).
What are the key properties of N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).