N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

C22H27N5O — CID 71835908

IUPACN-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1
InChIInChI=1S/C22H27N5O/c1-4-16-7-5-6-8-18(16)25-22(28)26-12-10-17(14-26)21-24-19-9-11-23-13-20(19)27(21)15(2)3/h5-9,11,13,15,17H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyXOMUQSALYURBHW-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.60
Rot. Bonds4

About N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 71835908) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID71835908
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1
InChIInChI=1S/C22H27N5O/c1-4-16-7-5-6-8-18(16)25-22(28)26-12-10-17(14-26)21-24-19-9-11-23-13-20(19)27(21)15(2)3/h5-9,11,13,15,17H,4,10,12,14H2,1-3H3,(H,25,28)
InChIKeyXOMUQSALYURBHW-UHFFFAOYSA-N
XLogP4.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 83272951
(3S)-N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429506
(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429488
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 83272931
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 97429597

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 71835908) is N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1.
What is the InChIKey of N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is XOMUQSALYURBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-16-7-5-6-8-18(16)25-22(28)26-12-10-17(14-26)21-24-19-9-11-23-13-20(19)27(21)15(2)3/h5-9,11,13,15,17H,4,10,12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71835908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).