N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide

C21H22N6O2 — CID 157014594

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3ccnc4c3nc(C)n4C)cn2)c1
InChIInChI=1S/C21H22N6O2/c1-14-24-19-18(8-9-22-20(19)26(14)3)21(28)25(2)12-15-11-23-27(13-15)16-6-5-7-17(10-16)29-4/h5-11,13H,12H2,1-4H3
InChIKeyXVSUTSYDJSAHRB-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 157014594) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
PubChem CID157014594
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3ccnc4c3nc(C)n4C)cn2)c1
InChIInChI=1S/C21H22N6O2/c1-14-24-19-18(8-9-22-20(19)26(14)3)21(28)25(2)12-15-11-23-27(13-15)16-6-5-7-17(10-16)29-4/h5-11,13H,12H2,1-4H3
InChIKeyXVSUTSYDJSAHRB-UHFFFAOYSA-N
XLogP2.74
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
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2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide (CID 157014594) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide is COc1cccc(-n2cc(CN(C)C(=O)c3ccnc4c3nc(C)n4C)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is XVSUTSYDJSAHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-24-19-18(8-9-22-20(19)26(14)3)21(28)25(2)12-15-11-23-27(13-15)16-6-5-7-17(10-16)29-4/h5-11,13H,12H2,1-4H3.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 157014594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).