7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C22H26N4O2 — CID 71562649

IUPAC7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28)
InChIKeyJYEFPJKEFHNPMZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.15
Rot. Bonds4

About 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562649) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562649
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28)
InChIKeyJYEFPJKEFHNPMZ-UHFFFAOYSA-N
XLogP3.15
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562649) is 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2Cc1ccccc1.
What is the InChIKey of 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JYEFPJKEFHNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-19-20(27)18(21(28)23-17-11-7-4-8-12-17)14-26(22(19)25(2)24-15)13-16-9-5-3-6-10-16/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H,23,28).
What are the key properties of 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).