[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C18H19N5O — CID 97416535

IUPAC[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCn1c([C@H]2CCN(C(=O)c3ccncc3)C2)nc2cccnc21
InChIInChI=1S/C18H19N5O/c1-2-23-16(21-15-4-3-8-20-17(15)23)14-7-11-22(12-14)18(24)13-5-9-19-10-6-13/h3-6,8-10,14H,2,7,11-12H2,1H3/t14-/m0/s1
InChIKeyDDUZODFRWYCAHQ-AWEZNQCLSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds3

About [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 97416535) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID97416535
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCn1c([C@H]2CCN(C(=O)c3ccncc3)C2)nc2cccnc21
InChIInChI=1S/C18H19N5O/c1-2-23-16(21-15-4-3-8-20-17(15)23)14-7-11-22(12-14)18(24)13-5-9-19-10-6-13/h3-6,8-10,14H,2,7,11-12H2,1H3/t14-/m0/s1
InChIKeyDDUZODFRWYCAHQ-AWEZNQCLSA-N
XLogP2.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 95110108
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110110
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 87054244
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 97416540
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97416544
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 97416535) is [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is CCn1c([C@H]2CCN(C(=O)c3ccncc3)C2)nc2cccnc21.
What is the InChIKey of [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DDUZODFRWYCAHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-23-16(21-15-4-3-8-20-17(15)23)14-7-11-22(12-14)18(24)13-5-9-19-10-6-13/h3-6,8-10,14H,2,7,11-12H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97416535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).