5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide

C20H23ClN6O — CID 67185897

IUPAC5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CNc2n[nH]c3ncccc23)CC1
InChIInChI=1S/C20H23ClN6O/c1-12-17(9-14(21)11-23-12)20(28)25-15-6-4-13(5-7-15)10-24-19-16-3-2-8-22-18(16)26-27-19/h2-3,8-9,11,13,15H,4-7,10H2,1H3,(H,25,28)(H2,22,24,26,27)
InChIKeyRPFWJLOEKHTQIA-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 67185897) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID67185897
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CNc2n[nH]c3ncccc23)CC1
InChIInChI=1S/C20H23ClN6O/c1-12-17(9-14(21)11-23-12)20(28)25-15-6-4-13(5-7-15)10-24-19-16-3-2-8-22-18(16)26-27-19/h2-3,8-9,11,13,15H,4-7,10H2,1H3,(H,25,28)(H2,22,24,26,27)
InChIKeyRPFWJLOEKHTQIA-UHFFFAOYSA-N
XLogP3.72
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53319646
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6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155540396
[6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 155567149
4-[[(3R,4R)-1-[(3-chlorophenyl)methyl]-3-fluoropiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757097
4-[[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide (CID 67185897) is 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(CNc2n[nH]c3ncccc23)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is RPFWJLOEKHTQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-12-17(9-14(21)11-23-12)20(28)25-15-6-4-13(5-7-15)10-24-19-16-3-2-8-22-18(16)26-27-19/h2-3,8-9,11,13,15H,4-7,10H2,1H3,(H,25,28)(H2,22,24,26,27).
What are the key properties of 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[(1H-pyrazolo[5,4-b]pyridin-3-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 67185897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).