N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H24N4O — CID 44821533

IUPACN,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12
InChIInChI=1S/C25H24N4O/c1-17-23-21(25(30)26-15-18-8-4-2-5-9-18)14-22(20-12-13-20)27-24(23)29(28-17)16-19-10-6-3-7-11-19/h2-11,14,20H,12-13,15-16H2,1H3,(H,26,30)
InChIKeyATWSEFUNSZILMX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.60
Rot. Bonds6

About N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821533) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821533
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12
InChIInChI=1S/C25H24N4O/c1-17-23-21(25(30)26-15-18-8-4-2-5-9-18)14-22(20-12-13-20)27-24(23)29(28-17)16-19-10-6-3-7-11-19/h2-11,14,20H,12-13,15-16H2,1H3,(H,26,30)
InChIKeyATWSEFUNSZILMX-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821521
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44823411
6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724425
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51854405
6-cyclopropyl-1,3-dimethyl-N-[(3-sulfamoylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38321023
1-benzyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822451
N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026552
6-cyclopropyl-1,3-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55725185
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44821533) is N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12.
What is the InChIKey of N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ATWSEFUNSZILMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-23-21(25(30)26-15-18-8-4-2-5-9-18)14-22(20-12-13-20)27-24(23)29(28-17)16-19-10-6-3-7-11-19/h2-11,14,20H,12-13,15-16H2,1H3,(H,26,30).
What are the key properties of N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).