7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one

C19H17N3O3S — CID 59176286

IUPAC7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one
SMILESNCCc1cn(S(=O)(=O)c2ccc3c(c2)CC(=O)C=C3)c2cccnc12
InChIInChI=1S/C19H17N3O3S/c20-8-7-14-12-22(18-2-1-9-21-19(14)18)26(24,25)17-6-4-13-3-5-16(23)10-15(13)11-17/h1-6,9,11-12H,7-8,10,20H2
InChIKeySCOKQORXXPTCMN-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.91
Rot. Bonds4

About 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one

7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one (PubChem CID 59176286) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one
PubChem CID59176286
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one
SMILESNCCc1cn(S(=O)(=O)c2ccc3c(c2)CC(=O)C=C3)c2cccnc12
InChIInChI=1S/C19H17N3O3S/c20-8-7-14-12-22(18-2-1-9-21-19(14)18)26(24,25)17-6-4-13-3-5-16(23)10-15(13)11-17/h1-6,9,11-12H,7-8,10,20H2
InChIKeySCOKQORXXPTCMN-UHFFFAOYSA-N
XLogP1.91
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 159561874
2-[1-(3,4-difluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine
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7-[3-[2-(dimethylamino)ethyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;formic acid
CID 159098104
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CID 44603430
1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
CID 91160769
2-[1-[4-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 44624500
6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
CID 25192612
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CID 25192610

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one?
The IUPAC name of 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one (CID 59176286) is 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one.
What is the SMILES notation for 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one?
The canonical SMILES for 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one is NCCc1cn(S(=O)(=O)c2ccc3c(c2)CC(=O)C=C3)c2cccnc12.
What is the InChIKey of 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one?
The InChIKey is SCOKQORXXPTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-8-7-14-12-22(18-2-1-9-21-19(14)18)26(24,25)17-6-4-13-3-5-16(23)10-15(13)11-17/h1-6,9,11-12H,7-8,10,20H2.
What are the key properties of 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one?
7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one has a molecular weight of 367.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminoethyl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1H-naphthalen-2-one is sourced from PubChem (CID 59176286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).