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

C19H19FN4O — CID 53191158

IUPAC[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C19H19FN4O/c1-2-24-17(22-16-4-3-10-21-18(16)24)14-9-11-23(12-14)19(25)13-5-7-15(20)8-6-13/h3-8,10,14H,2,9,11-12H2,1H3
InChIKeyPGMHXWMYAREHLE-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.22
Rot. Bonds3

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

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 53191158) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID53191158
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C19H19FN4O/c1-2-24-17(22-16-4-3-10-21-18(16)24)14-9-11-23(12-14)19(25)13-5-7-15(20)8-6-13/h3-8,10,14H,2,9,11-12H2,1H3
InChIKeyPGMHXWMYAREHLE-UHFFFAOYSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[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]-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
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
[(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]-(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
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone (CID 53191158) is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone is CCn1c(C2CCN(C(=O)c3ccc(F)cc3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is PGMHXWMYAREHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-2-24-17(22-16-4-3-10-21-18(16)24)14-9-11-23(12-14)19(25)13-5-7-15(20)8-6-13/h3-8,10,14H,2,9,11-12H2,1H3.
What are the key properties of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 338.39 g/mol, XLogP of 3.22, 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]-(4-fluorophenyl)methanone is sourced from PubChem (CID 53191158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).