1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine

C19H17N3O3S — CID 118714832

IUPAC1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)cnc32)c1
InChIInChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
InChIKeyXNTIBMGLZNTNQR-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine

1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 118714832) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID118714832
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)cnc32)c1
InChIInChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3
InChIKeyXNTIBMGLZNTNQR-UHFFFAOYSA-N
XLogP2.90
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-5-pyridin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 118714831
tert-butyl 3-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate
CID 123189164
(2E)-2-[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]methylidene]-3,3-dimethylbutanoic acid
CID 126618212
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
6-(3-methoxyphenyl)sulfonyl-4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260855
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxamide
CID 118437679
1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine
CID 67961663
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
methyl 3-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate
CID 123716885
[(8S,9S,10R)-6-(3-methoxyphenyl)sulfonyl-9-(4-pyridin-3-ylphenyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
CID 54667124
1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714841

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 118714832) is 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine is COc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)cnc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is XNTIBMGLZNTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-17-5-2-6-18(11-17)26(23,24)22-9-7-14-10-16(13-21-19(14)22)15-4-3-8-20-12-15/h2-6,8,10-13H,7,9H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 367.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118714832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).