4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

C21H26ClN3O3S — CID 18001600

IUPAC4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(S(C)(=O)=O)cc3Cl)nccc2n1C(CC)CCOC
InChIInChI=1S/C21H26ClN3O3S/c1-5-14(10-12-28-3)25-18-9-11-23-20(21(18)24-19(25)6-2)16-8-7-15(13-17(16)22)29(4,26)27/h7-9,11,13-14H,5-6,10,12H2,1-4H3
InChIKeyRKMFQOYVOWCMBV-UHFFFAOYSA-N
MW435.98 g/mol
LogP4.71
Rot. Bonds8

About 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (PubChem CID 18001600) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
PubChem CID18001600
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(S(C)(=O)=O)cc3Cl)nccc2n1C(CC)CCOC
InChIInChI=1S/C21H26ClN3O3S/c1-5-14(10-12-28-3)25-18-9-11-23-20(21(18)24-19(25)6-2)16-8-7-15(13-17(16)22)29(4,26)27/h7-9,11,13-14H,5-6,10,12H2,1-4H3
InChIKeyRKMFQOYVOWCMBV-UHFFFAOYSA-N
XLogP4.71
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (CID 18001600) is 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is CCc1nc2c(-c3ccc(S(C)(=O)=O)cc3Cl)nccc2n1C(CC)CCOC.
What is the InChIKey of 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is RKMFQOYVOWCMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-5-14(10-12-28-3)25-18-9-11-23-20(21(18)24-19(25)6-2)16-8-7-15(13-17(16)22)29(4,26)27/h7-9,11,13-14H,5-6,10,12H2,1-4H3.
What are the key properties of 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 435.98 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 18001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).