6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O2 — CID 16622505

IUPAC6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H26N4O2/c1-5-28-17-10-8-15(9-11-17)13(2)23-22(27)18-12-19(16-6-7-16)24-21-20(18)14(3)25-26(21)4/h8-13,16H,5-7H2,1-4H3,(H,23,27)
InChIKeySHWIRBOAIHNPOQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.04
Rot. Bonds6

About 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16622505) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16622505
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C22H26N4O2/c1-5-28-17-10-8-15(9-11-17)13(2)23-22(27)18-12-19(16-6-7-16)24-21-20(18)14(3)25-26(21)4/h8-13,16H,5-7H2,1-4H3,(H,23,27)
InChIKeySHWIRBOAIHNPOQ-UHFFFAOYSA-N
XLogP4.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
6-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46564121
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-1,3-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43075013
6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38600870
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799779
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
6-cyclopropyl-N'-[2-(4-fluorophenoxy)propanoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43043122

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16622505) is 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCOc1ccc(C(C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SHWIRBOAIHNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-28-17-10-8-15(9-11-17)13(2)23-22(27)18-12-19(16-6-7-16)24-21-20(18)14(3)25-26(21)4/h8-13,16H,5-7H2,1-4H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).