1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

C19H19F3N4O — CID 134493762

IUPAC1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1CCN1CCCC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-5-3-4-13(10-15)14-11-16-17(23-12-14)24-18(27)26(16)9-8-25-6-1-2-7-25/h3-5,10-12H,1-2,6-9H2,(H,23,24,27)
InChIKeyOZELIZZCCMSXOT-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493762) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493762
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1CCN1CCCC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-5-3-4-13(10-15)14-11-16-17(23-12-14)24-18(27)26(16)9-8-25-6-1-2-7-25/h3-5,10-12H,1-2,6-9H2,(H,23,24,27)
InChIKeyOZELIZZCCMSXOT-UHFFFAOYSA-N
XLogP3.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493762) is 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is OZELIZZCCMSXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)15-5-3-4-13(10-15)14-11-16-17(23-12-14)24-18(27)26(16)9-8-25-6-1-2-7-25/h3-5,10-12H,1-2,6-9H2,(H,23,24,27).
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 376.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).