(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C18H17ClN4O — CID 97429352

IUPAC(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2ccncc21
InChIInChI=1S/C18H17ClN4O/c1-22-16-10-20-7-5-15(16)21-17(22)13-6-8-23(11-13)18(24)12-3-2-4-14(19)9-12/h2-5,7,9-10,13H,6,8,11H2,1H3/t13-/m0/s1
InChIKeyYIROEZQOIGHRAV-ZDUSSCGKSA-N
MW340.81 g/mol
LogP3.25
Rot. Bonds2

About (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97429352) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID97429352
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2ccncc21
InChIInChI=1S/C18H17ClN4O/c1-22-16-10-20-7-5-15(16)21-17(22)13-6-8-23(11-13)18(24)12-3-2-4-14(19)9-12/h2-5,7,9-10,13H,6,8,11H2,1H3/t13-/m0/s1
InChIKeyYIROEZQOIGHRAV-ZDUSSCGKSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110110
N-[3-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 97429558
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 95112578
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 83275829

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 97429352) is (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is Cn1c([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)nc2ccncc21.
What is the InChIKey of (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YIROEZQOIGHRAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-22-16-10-20-7-5-15(16)21-17(22)13-6-8-23(11-13)18(24)12-3-2-4-14(19)9-12/h2-5,7,9-10,13H,6,8,11H2,1H3/t13-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97429352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).