3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C21H22ClN5O3S — CID 118737725

IUPAC3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H22ClN5O3S/c1-2-31(29,30)10-7-17-16(24-20-11-14(22)6-9-25(17)20)13-26-19-12-23-8-5-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,15H,2-4,7,10,13H2,1H3
InChIKeySWWRPROUTDGFFV-UHFFFAOYSA-N
MW459.96 g/mol
LogP2.86
Rot. Bonds7

About 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737725) has the molecular formula C21H22ClN5O3S and a molecular weight of 459.96 g/mol. Its IUPAC name is 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737725
Molecular FormulaC21H22ClN5O3S
Molecular Weight459.96 g/mol
Exact Mass459.11
IUPAC Name3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H22ClN5O3S/c1-2-31(29,30)10-7-17-16(24-20-11-14(22)6-9-25(17)20)13-26-19-12-23-8-5-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,15H,2-4,7,10,13H2,1H3
InChIKeySWWRPROUTDGFFV-UHFFFAOYSA-N
XLogP2.86
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737725) is 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is SWWRPROUTDGFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3S/c1-2-31(29,30)10-7-17-16(24-20-11-14(22)6-9-25(17)20)13-26-19-12-23-8-5-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,15H,2-4,7,10,13H2,1H3.
What are the key properties of 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 459.96 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-3-(2-ethylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).