9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone

C16H10N2OS — CID 102428591

IUPAC9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H10N2OS/c19-16(13-6-3-9-20-13)15-14-11(7-8-17-15)10-4-1-2-5-12(10)18-14/h1-9,18H
InChIKeyNFMVFANBBVHDEL-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.01
Rot. Bonds2

About 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone

9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone (PubChem CID 102428591) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone
PubChem CID102428591
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H10N2OS/c19-16(13-6-3-9-20-13)15-14-11(7-8-17-15)10-4-1-2-5-12(10)18-14/h1-9,18H
InChIKeyNFMVFANBBVHDEL-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

Fascaplysin
CID 73293
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507811
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507830
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(4-methyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280239
1-[7-(benzothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 5280241
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280242
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280243
1-[7-(5-acetyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280246
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280248
Fascaplysine
CID 73292
1-(9H-beta-Carbolin-3-yl)ethan-1-one
CID 12789146
Pyrrolopyridine, 13
CID 16719973

Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone?
The IUPAC name of 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone (CID 102428591) is 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone?
The canonical SMILES for 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone is O=C(c1cccs1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone?
The InChIKey is NFMVFANBBVHDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-16(13-6-3-9-20-13)15-14-11(7-8-17-15)10-4-1-2-5-12(10)18-14/h1-9,18H.
What are the key properties of 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone?
9H-pyrido[3,4-b]indol-1-yl(thiophen-2-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 9H-pyrido[3,4-b]indol-1-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 102428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).