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

C17H14N2O2 — CID 127028481

IUPAC[9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccco1
InChIInChI=1S/C17H14N2O2/c20-11-12-8-15-14-5-1-2-6-16(14)19(17(15)18-9-12)10-13-4-3-7-21-13/h1-9,20H,10-11H2
InChIKeyAVVSBSOECRVZFZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.32
Rot. Bonds3

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

[9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127028481) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127028481
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
SMILESOCc1cnc2c(c1)c1ccccc1n2Cc1ccco1
InChIInChI=1S/C17H14N2O2/c20-11-12-8-15-14-5-1-2-6-16(14)19(17(15)18-9-12)10-13-4-3-7-21-13/h1-9,20H,10-11H2
InChIKeyAVVSBSOECRVZFZ-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

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Related Compounds

2-[[7-(Furan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 661878
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3233956
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
3-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10273238
(2R,3R,4S,5R)-2-[4-(furan-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44129656
(2R,3R,4S,5R)-2-[4-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194499
[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-methanol
CID 44403168
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
4-{9-cyclopentyl-6-[(6-furan-2-yl-pyridin-3-ylmethyl)-amino]-9H-purine-2-ylamino}-cyclohexanol
CID 71817798
N-(furan-2-ylmethyl)-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 137639984

Frequently Asked Questions

What is the IUPAC name of [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol (CID 127028481) is [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is OCc1cnc2c(c1)c1ccccc1n2Cc1ccco1.
What is the InChIKey of [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is AVVSBSOECRVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-11-12-8-15-14-5-1-2-6-16(14)19(17(15)18-9-12)10-13-4-3-7-21-13/h1-9,20H,10-11H2.
What are the key properties of [9-(furan-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol?
[9-(furan-2-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-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127028481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).