6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H25N5O2 — CID 55724425

IUPAC6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C22H25N5O2/c1-4-23-21(28)16-7-5-6-14(10-16)12-24-22(29)17-11-18(15-8-9-15)25-20-19(17)13(2)26-27(20)3/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyLGBFQDWRJWARMA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.83
Rot. Bonds6

About 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55724425) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55724425
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C22H25N5O2/c1-4-23-21(28)16-7-5-6-14(10-16)12-24-22(29)17-11-18(15-8-9-15)25-20-19(17)13(2)26-27(20)3/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyLGBFQDWRJWARMA-UHFFFAOYSA-N
XLogP2.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-[(3-sulfamoylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38321023
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55724425) is 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1.
What is the InChIKey of 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LGBFQDWRJWARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-23-21(28)16-7-5-6-14(10-16)12-24-22(29)17-11-18(15-8-9-15)25-20-19(17)13(2)26-27(20)3/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55724425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).