N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H33N5O2 — CID 47068312

IUPACN-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CCCCC1
InChIInChI=1S/C26H33N5O2/c1-5-31(6-2)25(33)26(15-11-8-12-16-26)28-24(32)20-17-21(19-13-9-7-10-14-19)27-23-22(20)18(3)29-30(23)4/h7,9-10,13-14,17H,5-6,8,11-12,15-16H2,1-4H3,(H,28,32)
InChIKeyQWRYZRHCGOLLMW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.24
Rot. Bonds6

About N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47068312) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47068312
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CCCCC1
InChIInChI=1S/C26H33N5O2/c1-5-31(6-2)25(33)26(15-11-8-12-16-26)28-24(32)20-17-21(19-13-9-7-10-14-19)27-23-22(20)18(3)29-30(23)4/h7,9-10,13-14,17H,5-6,8,11-12,15-16H2,1-4H3,(H,28,32)
InChIKeyQWRYZRHCGOLLMW-UHFFFAOYSA-N
XLogP4.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522873
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402967
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55619038
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1,3-dimethyl-6-phenyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119426357
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 47068312) is N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)C1(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CCCCC1.
What is the InChIKey of N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QWRYZRHCGOLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-5-31(6-2)25(33)26(15-11-8-12-16-26)28-24(32)20-17-21(19-13-9-7-10-14-19)27-23-22(20)18(3)29-30(23)4/h7,9-10,13-14,17H,5-6,8,11-12,15-16H2,1-4H3,(H,28,32).
What are the key properties of N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47068312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).