N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide

C23H23FN8O — CID 130344272

IUPACN-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cnc2cnn(-c3ncc(F)c(NC4CCCC(NC(=O)c5ccccn5)C4)n3)c2c1
InChIInChI=1S/C23H23FN8O/c1-14-9-20-19(26-11-14)13-28-32(20)23-27-12-17(24)21(31-23)29-15-5-4-6-16(10-15)30-22(33)18-7-2-3-8-25-18/h2-3,7-9,11-13,15-16H,4-6,10H2,1H3,(H,30,33)(H,27,29,31)
InChIKeyIHAVQWHRBSCPNN-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.21
Rot. Bonds5

About N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide

N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide (PubChem CID 130344272) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide
PubChem CID130344272
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC NameN-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cnc2cnn(-c3ncc(F)c(NC4CCCC(NC(=O)c5ccccn5)C4)n3)c2c1
InChIInChI=1S/C23H23FN8O/c1-14-9-20-19(26-11-14)13-28-32(20)23-27-12-17(24)21(31-23)29-15-5-4-6-16(10-15)30-22(33)18-7-2-3-8-25-18/h2-3,7-9,11-13,15-16H,4-6,10H2,1H3,(H,30,33)(H,27,29,31)
InChIKeyIHAVQWHRBSCPNN-UHFFFAOYSA-N
XLogP3.21
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]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

N-[(1R,3S)-3-[[5-fluoro-2-(6-fluoropyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazole-5-carboxamide
CID 130344233
N-[(1R,3S)-3-[[2-(6-fluoropyrazolo[4,5-b]pyridin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 162606106
cis-(1S,3R)-1-N-[5-fluoro-2-(6-fluoropyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]cyclohexane-1,3-diamine
CID 130343803
(3R)-1-N-[5-fluoro-2-(6-fluoropyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]cyclohexane-1,3-diamine
CID 130343804
N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
CID 155476798
N-[(3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-4-methylpyridine-2-carboxamide
CID 118882552
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-[(1R,3S)-3-[[5-cyano-3-fluoro-6-[7-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]amino]cyclohexyl]pyridine-2-carboxamide
CID 130305803
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86785909
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-6-methoxypyridine-2-carboxamide
CID 130303770
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 118882917

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide (CID 130344272) is N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide is Cc1cnc2cnn(-c3ncc(F)c(NC4CCCC(NC(=O)c5ccccn5)C4)n3)c2c1.
What is the InChIKey of N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is IHAVQWHRBSCPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-14-9-20-19(26-11-14)13-28-32(20)23-27-12-17(24)21(31-23)29-15-5-4-6-16(10-15)30-22(33)18-7-2-3-8-25-18/h2-3,7-9,11-13,15-16H,4-6,10H2,1H3,(H,30,33)(H,27,29,31).
What are the key properties of N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide?
N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-fluoro-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 130344272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).