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

C23H25ClN4O3S — CID 90027290

IUPAC3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
SMILESCC1(n2c(=O)n(Cc3cc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1
InChIInChI=1S/C23H25ClN4O3S/c1-23(7-8-23)28-20-6-9-25-14-21(20)27(22(28)29)15-18-13-16-12-17(24)4-5-19(16)26(18)10-3-11-32(2,30)31/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3
InChIKeyRYZZBCKKEWOPLO-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.80
Rot. Bonds7

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

3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 90027290) 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-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
PubChem CID90027290
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
SMILESCC1(n2c(=O)n(Cc3cc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1
InChIInChI=1S/C23H25ClN4O3S/c1-23(7-8-23)28-20-6-9-25-14-21(20)27(22(28)29)15-18-13-16-12-17(24)4-5-19(16)26(18)10-3-11-32(2,30)31/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3
InChIKeyRYZZBCKKEWOPLO-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one (CID 90027290) is 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one is CC1(n2c(=O)n(Cc3cc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1.
What is the InChIKey of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is RYZZBCKKEWOPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-23(7-8-23)28-20-6-9-25-14-21(20)27(22(28)29)15-18-13-16-12-17(24)4-5-19(16)26(18)10-3-11-32(2,30)31/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3.
What are the key properties of 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 473.00 g/mol, XLogP of 3.80, 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-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 90027290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).