[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol

C17H14N2OS — CID 127028807

IUPAC[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccsc1
InChIInChI=1S/C17H14N2OS/c20-10-13-7-15-14-3-1-2-4-16(14)19(17(15)18-8-13)9-12-5-6-21-11-12/h1-8,11,20H,9-10H2
InChIKeyLXRBHIQUFBYUCP-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.79
Rot. Bonds3

About [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol

[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127028807) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127028807
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccsc1
InChIInChI=1S/C17H14N2OS/c20-10-13-7-15-14-3-1-2-4-16(14)19(17(15)18-8-13)9-12-5-6-21-11-12/h1-8,11,20H,9-10H2
InChIKeyLXRBHIQUFBYUCP-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (CID 127028807) is [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1ccsc1.
What is the InChIKey of [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is LXRBHIQUFBYUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-10-13-7-15-14-3-1-2-4-16(14)19(17(15)18-8-13)9-12-5-6-21-11-12/h1-8,11,20H,9-10H2.
What are the key properties of [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
[9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 294.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127028807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).