1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one

C19H21FN4O — CID 134493723

IUPAC1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3[nH]c(=O)n(CCN4CCC4)c3c2)c1C
InChIInChI=1S/C19H21FN4O/c1-12-13(2)16(20)5-4-15(12)14-10-17-18(21-11-14)22-19(25)24(17)9-8-23-6-3-7-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,25)
InChIKeyQBWXAZAEDHZIGX-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one

1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493723) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493723
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1c(F)ccc(-c2cnc3[nH]c(=O)n(CCN4CCC4)c3c2)c1C
InChIInChI=1S/C19H21FN4O/c1-12-13(2)16(20)5-4-15(12)14-10-17-18(21-11-14)22-19(25)24(17)9-8-23-6-3-7-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,25)
InChIKeyQBWXAZAEDHZIGX-UHFFFAOYSA-N
XLogP2.85
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493723) is 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one is Cc1c(F)ccc(-c2cnc3[nH]c(=O)n(CCN4CCC4)c3c2)c1C.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QBWXAZAEDHZIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12-13(2)16(20)5-4-15(12)14-10-17-18(21-11-14)22-19(25)24(17)9-8-23-6-3-7-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-6-(4-fluoro-2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).