1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C22H24ClN5O3S — CID 90027354

IUPAC1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CNC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H24ClN5O3S/c1-32(30,31)8-2-7-26-17(10-15-9-16(23)3-4-19(15)26)14-27-21-13-24-6-5-20(21)28(22(27)29)18-11-25-12-18/h3-6,9-10,13,18,25H,2,7-8,11-12,14H2,1H3
InChIKeyGNDMLWNUZVFZPY-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.43
Rot. Bonds7

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

1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 90027354) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID90027354
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC Name1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CNC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H24ClN5O3S/c1-32(30,31)8-2-7-26-17(10-15-9-16(23)3-4-19(15)26)14-27-21-13-24-6-5-20(21)28(22(27)29)18-11-25-12-18/h3-6,9-10,13,18,25H,2,7-8,11-12,14H2,1H3
InChIKeyGNDMLWNUZVFZPY-UHFFFAOYSA-N
XLogP2.43
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 90027354) is 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CNC3)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GNDMLWNUZVFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c1-32(30,31)8-2-7-26-17(10-15-9-16(23)3-4-19(15)26)14-27-21-13-24-6-5-20(21)28(22(27)29)18-11-25-12-18/h3-6,9-10,13,18,25H,2,7-8,11-12,14H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 473.99 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 90027354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).