4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C19H18ClN3O2S — CID 90420022

IUPAC4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(Cl)c4)ccnc3[nH]2)CC1
InChIInChI=1S/C19H18ClN3O2S/c1-26(24,25)23-9-6-13(7-10-23)18-12-17-16(5-8-21-19(17)22-18)14-3-2-4-15(20)11-14/h2-6,8,11-12H,7,9-10H2,1H3,(H,21,22)
InChIKeyNCEIGWXCOFFOHJ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.93
Rot. Bonds3

About 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420022) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420022
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(Cl)c4)ccnc3[nH]2)CC1
InChIInChI=1S/C19H18ClN3O2S/c1-26(24,25)23-9-6-13(7-10-23)18-12-17-16(5-8-21-19(17)22-18)14-3-2-4-15(20)11-14/h2-6,8,11-12H,7,9-10H2,1H3,(H,21,22)
InChIKeyNCEIGWXCOFFOHJ-UHFFFAOYSA-N
XLogP3.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90421028
4-(4,5-difluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420289
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90421522
4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420918
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90419558
4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139208129
4-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1,1-dihydroxy-1,4-thiazinane
CID 118897463
1-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-4-carboxylic acid
CID 90420143
2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetic acid
CID 118897477
4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde
CID 138641013
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
tert-butyl 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90411607

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90420022) is 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(Cl)c4)ccnc3[nH]2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NCEIGWXCOFFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-26(24,25)23-9-6-13(7-10-23)18-12-17-16(5-8-21-19(17)22-18)14-3-2-4-15(20)11-14/h2-6,8,11-12H,7,9-10H2,1H3,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 387.89 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).