[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C20H21FN4O — CID 87054244

IUPAC[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc(C)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H21FN4O/c1-3-25-18(23-17-5-4-9-22-19(17)25)15-8-10-24(12-15)20(26)14-7-6-13(2)16(21)11-14/h4-7,9,11,15H,3,8,10,12H2,1-2H3
InChIKeyOGOAIIQYIUYXGV-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.53
Rot. Bonds3

About [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 87054244) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID87054244
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc(C)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H21FN4O/c1-3-25-18(23-17-5-4-9-22-19(17)25)15-8-10-24(12-15)20(26)14-7-6-13(2)16(21)11-14/h4-7,9,11,15H,3,8,10,12H2,1-2H3
InChIKeyOGOAIIQYIUYXGV-UHFFFAOYSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 87054244) is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is CCn1c(C2CCN(C(=O)c3ccc(C)c(F)c3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is OGOAIIQYIUYXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-3-25-18(23-17-5-4-9-22-19(17)25)15-8-10-24(12-15)20(26)14-7-6-13(2)16(21)11-14/h4-7,9,11,15H,3,8,10,12H2,1-2H3.
What are the key properties of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 352.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 87054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).