1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one

C17H16F2N4O2S — CID 134490017

IUPAC1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cc(C(F)F)cs3)cnc21
InChIInChI=1S/C17H16F2N4O2S/c1-21-16-12(23(17(21)25)8-14(24)22-3-2-4-22)5-10(7-20-16)13-6-11(9-26-13)15(18)19/h5-7,9,15H,2-4,8H2,1H3
InChIKeyUHUIEJUQWSPSJU-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one

1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 134490017) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID134490017
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cc(C(F)F)cs3)cnc21
InChIInChI=1S/C17H16F2N4O2S/c1-21-16-12(23(17(21)25)8-14(24)22-3-2-4-22)5-10(7-20-16)13-6-11(9-26-13)15(18)19/h5-7,9,15H,2-4,8H2,1H3
InChIKeyUHUIEJUQWSPSJU-UHFFFAOYSA-N
XLogP2.63
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-2-oxo-5-thiophen-3-yl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848750
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[2-oxo-5-thiophen-3-yl-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 11848968
US10617676, Example 326
CID 134489940
US10617676, Example 34
CID 134489942
US10617676, Example 80
CID 134489983
US10617676, Example 93
CID 134489992
US10617676, Example 105
CID 134490001
US10617676, Example 408
CID 134490113
GluN2B receptor modulator-1
CID 134493575
US10617676, Example 28
CID 134493680
US10617676, Example 327
CID 134493770
US10617676, Example 10
CID 134489932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 134490017) is 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cc(C(F)F)cs3)cnc21.
What is the InChIKey of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is UHUIEJUQWSPSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-21-16-12(23(17(21)25)8-14(24)22-3-2-4-22)5-10(7-20-16)13-6-11(9-26-13)15(18)19/h5-7,9,15H,2-4,8H2,1H3.
What are the key properties of 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 378.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-2-oxoethyl]-6-[4-(difluoromethyl)thiophen-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134490017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).