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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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).