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

C20H20ClN5O3S — CID 118737724

IUPAC3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H20ClN5O3S/c1-30(28,29)9-6-16-15(23-19-10-13(21)5-8-24(16)19)12-25-18-11-22-7-4-17(18)26(20(25)27)14-2-3-14/h4-5,7-8,10-11,14H,2-3,6,9,12H2,1H3
InChIKeyVBHUDCXGFXRLFM-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.47
Rot. Bonds6

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

3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118737724) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is 3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118737724
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC Name3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H20ClN5O3S/c1-30(28,29)9-6-16-15(23-19-10-13(21)5-8-24(16)19)12-25-18-11-22-7-4-17(18)26(20(25)27)14-2-3-14/h4-5,7-8,10-11,14H,2-3,6,9,12H2,1H3
InChIKeyVBHUDCXGFXRLFM-UHFFFAOYSA-N
XLogP2.47
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.47
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-(2-methylsulfonylethyl)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-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118737724) is 3-[[7-chloro-3-(2-methylsulfonylethyl)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-methylsulfonylethyl)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-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of 3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is VBHUDCXGFXRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c1-30(28,29)9-6-16-15(23-19-10-13(21)5-8-24(16)19)12-25-18-11-22-7-4-17(18)26(20(25)27)14-2-3-14/h4-5,7-8,10-11,14H,2-3,6,9,12H2,1H3.
What are the key properties of 3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-chloro-3-(2-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 445.93 g/mol, XLogP of 2.47, 6 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-methylsulfonylethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118737724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).