N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C16H21N5O2 — CID 78903339

IUPACN-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC3(C(N)=O)CCCCC3)cc12
InChIInChI=1S/C16H21N5O2/c1-10-12-8-11(9-18-13(12)21(2)20-10)14(22)19-16(15(17)23)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,17,23)(H,19,22)
InChIKeyCOJXUSOWRQUBRW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.19
Rot. Bonds3

About N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78903339) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78903339
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NC3(C(N)=O)CCCCC3)cc12
InChIInChI=1S/C16H21N5O2/c1-10-12-8-11(9-18-13(12)21(2)20-10)14(22)19-16(15(17)23)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,17,23)(H,19,22)
InChIKeyCOJXUSOWRQUBRW-UHFFFAOYSA-N
XLogP1.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119565979
(3S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]thiolane-3-carboxylic acid
CID 125138750
4-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]thiane-4-carboxylic acid
CID 120531228
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78903339) is N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NC3(C(N)=O)CCCCC3)cc12.
What is the InChIKey of N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is COJXUSOWRQUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-12-8-11(9-18-13(12)21(2)20-10)14(22)19-16(15(17)23)6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,17,23)(H,19,22).
What are the key properties of N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78903339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).