1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one

C17H24N4O — CID 97429398

IUPAC1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCCn1c([C@H]2CCN(C(=O)CC(C)C)C2)nc2ccncc21
InChIInChI=1S/C17H24N4O/c1-4-21-15-10-18-7-5-14(15)19-17(21)13-6-8-20(11-13)16(22)9-12(2)3/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/t13-/m0/s1
InChIKeyHZKTWCJUBIODOB-ZDUSSCGKSA-N
MW300.41 g/mol
LogP2.81
Rot. Bonds4

About 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one

1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 97429398) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID97429398
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCCn1c([C@H]2CCN(C(=O)CC(C)C)C2)nc2ccncc21
InChIInChI=1S/C17H24N4O/c1-4-21-15-10-18-7-5-14(15)19-17(21)13-6-8-20(11-13)16(22)9-12(2)3/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/t13-/m0/s1
InChIKeyHZKTWCJUBIODOB-ZDUSSCGKSA-N
XLogP2.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 83272689
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 83273802
(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 97429597
(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 97429635
[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 71835904
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
N-[3-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 97429558
1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 53194816

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one (CID 97429398) is 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one is CCn1c([C@H]2CCN(C(=O)CC(C)C)C2)nc2ccncc21.
What is the InChIKey of 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is HZKTWCJUBIODOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-21-15-10-18-7-5-14(15)19-17(21)13-6-8-20(11-13)16(22)9-12(2)3/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 300.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 97429398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).