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

C23H23FN8O — CID 130344272

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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