1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C16H10N2OS — CID 102626680

IUPAC1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)c1csc2ccccc12
InChIInChI=1S/C16H10N2OS/c19-16(12-8-18-14-5-6-17-7-11(12)14)13-9-20-15-4-2-1-3-10(13)15/h1-9,18H
InChIKeyHQGSZNLETDWJCE-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.01
Rot. Bonds2

About 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626680) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626680
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)c1csc2ccccc12
InChIInChI=1S/C16H10N2OS/c19-16(12-8-18-14-5-6-17-7-11(12)14)13-9-20-15-4-2-1-3-10(13)15/h1-9,18H
InChIKeyHQGSZNLETDWJCE-UHFFFAOYSA-N
XLogP4.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609
[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 102213214
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626680) is 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1c[nH]c2ccncc12)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is HQGSZNLETDWJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-16(12-8-18-14-5-6-17-7-11(12)14)13-9-20-15-4-2-1-3-10(13)15/h1-9,18H.
What are the key properties of 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 278.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).