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

C24H20ClN5O3S — CID 118737730

IUPAC3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(Cn3c(=O)n(C4CC4)c4ccncc43)nc3cc(Cl)ccn23)cc1
InChIInChI=1S/C24H20ClN5O3S/c1-34(32,33)18-6-2-15(3-7-18)23-19(27-22-12-16(25)9-11-28(22)23)14-29-21-13-26-10-8-20(21)30(24(29)31)17-4-5-17/h2-3,6-13,17H,4-5,14H2,1H3
InChIKeyYCRVEONUABDUKO-UHFFFAOYSA-N
MW493.98 g/mol
LogP3.95
Rot. Bonds5

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

3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737730) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737730
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(Cn3c(=O)n(C4CC4)c4ccncc43)nc3cc(Cl)ccn23)cc1
InChIInChI=1S/C24H20ClN5O3S/c1-34(32,33)18-6-2-15(3-7-18)23-19(27-22-12-16(25)9-11-28(22)23)14-29-21-13-26-10-8-20(21)30(24(29)31)17-4-5-17/h2-3,6-13,17H,4-5,14H2,1H3
InChIKeyYCRVEONUABDUKO-UHFFFAOYSA-N
XLogP3.95
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737730) is 3-[[7-chloro-3-(4-methylsulfonylphenyl)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-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CS(=O)(=O)c1ccc(-c2c(Cn3c(=O)n(C4CC4)c4ccncc43)nc3cc(Cl)ccn23)cc1.
What is the InChIKey of 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is YCRVEONUABDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-34(32,33)18-6-2-15(3-7-18)23-19(27-22-12-16(25)9-11-28(22)23)14-29-21-13-26-10-8-20(21)30(24(29)31)17-4-5-17/h2-3,6-13,17H,4-5,14H2,1H3.
What are the key properties of 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 493.98 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).