6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine

C18H17ClN2O2S — CID 162736463

IUPAC6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine
SMILESCc1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C1CC1
InChIInChI=1S/C18H17ClN2O2S/c1-11-15-9-16(12-3-7-14(8-4-12)24(2,22)23)21(13-5-6-13)17(15)10-18(19)20-11/h3-4,7-10,13H,5-6H2,1-2H3
InChIKeyRCVWZVBWWVANHZ-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine

6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine (PubChem CID 162736463) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine
PubChem CID162736463
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine
SMILESCc1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C1CC1
InChIInChI=1S/C18H17ClN2O2S/c1-11-15-9-16(12-3-7-14(8-4-12)24(2,22)23)21(13-5-6-13)17(15)10-18(19)20-11/h3-4,7-10,13H,5-6H2,1-2H3
InChIKeyRCVWZVBWWVANHZ-UHFFFAOYSA-N
XLogP4.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-5-[[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-2,2-dimethylpropan-1-ol
CID 175694502
1-cyclopropyl-4-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]-2-fluorophenyl]piperidin-4-ol
CID 162736435
4-chloro-2-cyclopropyl-6-(4-methylsulfonylphenoxy)pyrimidine
CID 80944930
4-[4-[[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]methyl]piperazin-1-yl]-2-methylbutan-2-ol;ethane
CID 162736287
6-(2,5-difluoro-4-piperazin-1-ylphenyl)-1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine
CID 162736419
4-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]-1-propan-2-ylpiperidin-4-ol
CID 162736408
3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118737730
2,6-dichloro-4-methylsulfonylpyridine
CID 146177504
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-1-methyl-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 169154438
6-[1-(8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]-1-cyclopropyl-4-fluoro-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735871
5-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-6-fluoro-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735898
2-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-methyl-7-methylsulfonylquinazoline
CID 56720986

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine (CID 162736463) is 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine is Cc1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C1CC1.
What is the InChIKey of 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine?
The InChIKey is RCVWZVBWWVANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-11-15-9-16(12-3-7-14(8-4-12)24(2,22)23)21(13-5-6-13)17(15)10-18(19)20-11/h3-4,7-10,13H,5-6H2,1-2H3.
What are the key properties of 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine?
6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine has a molecular weight of 360.87 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-4-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 162736463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).