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

C22H27N5O — CID 97429488

IUPAC(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1
InChIInChI=1S/C22H27N5O/c1-14(2)27-20-12-23-7-5-19(20)25-21(27)17-6-8-26(13-17)22(28)24-18-10-15(3)9-16(4)11-18/h5,7,9-12,14,17H,6,8,13H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyJISVMAOACKKZSL-QGZVFWFLSA-N
MW377.49 g/mol
LogP4.65
Rot. Bonds3

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

(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97429488) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID97429488
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1
InChIInChI=1S/C22H27N5O/c1-14(2)27-20-12-23-7-5-19(20)25-21(27)17-6-8-26(13-17)22(28)24-18-10-15(3)9-16(4)11-18/h5,7,9-12,14,17H,6,8,13H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyJISVMAOACKKZSL-QGZVFWFLSA-N
XLogP4.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
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
N-(2-ethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 71835908
(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
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
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 97429548
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 97429488) is (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c1.
What is the InChIKey of (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JISVMAOACKKZSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14(2)27-20-12-23-7-5-19(20)25-21(27)17-6-8-26(13-17)22(28)24-18-10-15(3)9-16(4)11-18/h5,7,9-12,14,17H,6,8,13H2,1-4H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
(3R)-N-(3,5-dimethylphenyl)-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 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97429488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).