3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one

C23H25ClN4O3S — CID 72703564

IUPAC3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cncc2c1n(C1CC1)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O
InChIInChI=1S/C23H25ClN4O3S/c1-15-12-25-13-21-22(15)28(18-5-6-18)23(29)27(21)14-19-11-16-10-17(24)4-7-20(16)26(19)8-3-9-32(2,30)31/h4,7,10-13,18H,3,5-6,8-9,14H2,1-2H3
InChIKeyBAZRVJMNYDYWDC-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.93
Rot. Bonds7

About 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 72703564) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
PubChem CID72703564
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
SMILESCc1cncc2c1n(C1CC1)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O
InChIInChI=1S/C23H25ClN4O3S/c1-15-12-25-13-21-22(15)28(18-5-6-18)23(29)27(21)14-19-11-16-10-17(24)4-7-20(16)26(19)8-3-9-32(2,30)31/h4,7,10-13,18H,3,5-6,8-9,14H2,1-2H3
InChIKeyBAZRVJMNYDYWDC-UHFFFAOYSA-N
XLogP3.93
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one (CID 72703564) is 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one is Cc1cncc2c1n(C1CC1)c(=O)n2Cc1cc2cc(Cl)ccc2n1CCCS(C)(=O)=O.
What is the InChIKey of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is BAZRVJMNYDYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-15-12-25-13-21-22(15)28(18-5-6-18)23(29)27(21)14-19-11-16-10-17(24)4-7-20(16)26(19)8-3-9-32(2,30)31/h4,7,10-13,18H,3,5-6,8-9,14H2,1-2H3.
What are the key properties of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 473.00 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 72703564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).