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

C17H14N2O2 — CID 127028805

IUPAC[9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccoc1
InChIInChI=1S/C17H14N2O2/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
InChIKeyRWWHOLDYKYMSFK-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.32
Rot. Bonds3

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

[9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127028805) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127028805
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccoc1
InChIInChI=1S/C17H14N2O2/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
InChIKeyRWWHOLDYKYMSFK-UHFFFAOYSA-N
XLogP3.32
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (CID 127028805) is [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1ccoc1.
What is the InChIKey of [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is RWWHOLDYKYMSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/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-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
[9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 278.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127028805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).