1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide

C24H23N5O2 — CID 69029430

IUPAC1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(C(=O)N(C)C)nn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-9-11-18(12-10-16)23(30)26-20-14-13-19-21(24(31)28(2)3)27-29(22(19)25-20)15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,26,30)
InChIKeyKJLZGSYYNAZQBM-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.74
Rot. Bonds5

About 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide

1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 69029430) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID69029430
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(C(=O)N(C)C)nn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-9-11-18(12-10-16)23(30)26-20-14-13-19-21(24(31)28(2)3)27-29(22(19)25-20)15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,26,30)
InChIKeyKJLZGSYYNAZQBM-UHFFFAOYSA-N
XLogP3.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 69029430) is 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(C(=O)N(C)C)nn(Cc4ccccc4)c3n2)cc1.
What is the InChIKey of 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is KJLZGSYYNAZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-9-11-18(12-10-16)23(30)26-20-14-13-19-21(24(31)28(2)3)27-29(22(19)25-20)15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,26,30).
What are the key properties of 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide?
1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 69029430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).