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

C19H17Cl2N3O2S — CID 90421028

IUPAC4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(-c4ccc(Cl)c(Cl)c4)ccnc3[nH]2)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c1-27(25,26)24-8-5-12(6-9-24)18-11-15-14(4-7-22-19(15)23-18)13-2-3-16(20)17(21)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,23)
InChIKeyXWVVRDKCJGWYTQ-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.59
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90421028) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90421028
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)N1CC=C(c2cc3c(-c4ccc(Cl)c(Cl)c4)ccnc3[nH]2)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c1-27(25,26)24-8-5-12(6-9-24)18-11-15-14(4-7-22-19(15)23-18)13-2-3-16(20)17(21)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,23)
InChIKeyXWVVRDKCJGWYTQ-UHFFFAOYSA-N
XLogP4.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420022
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-(dimethylamino)ethyl N-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]carbamate
CID 90419899
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-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1-methylsulfonyl-3,6-dihydro-2H-pyridin-2-yl]methanol;methanesulfonyl chloride
CID 161216939
4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139208110

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90421028) is 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)N1CC=C(c2cc3c(-c4ccc(Cl)c(Cl)c4)ccnc3[nH]2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XWVVRDKCJGWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-27(25,26)24-8-5-12(6-9-24)18-11-15-14(4-7-22-19(15)23-18)13-2-3-16(20)17(21)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,23).
What are the key properties of 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 422.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90421028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).