[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol

C21H19N3O2 — CID 134489254

IUPAC[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol
SMILESOCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C21H19N3O2/c25-12-13-7-16(8-13)26-21-4-2-15(10-23-21)14-1-3-17-18-11-22-6-5-19(18)24-20(17)9-14/h1-6,9-11,13,16,24-25H,7-8,12H2
InChIKeyCSSQHDGDTFZGEX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.93
Rot. Bonds4

About [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol

[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol (PubChem CID 134489254) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol
PubChem CID134489254
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol
SMILESOCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C21H19N3O2/c25-12-13-7-16(8-13)26-21-4-2-15(10-23-21)14-1-3-17-18-11-22-6-5-19(18)24-20(17)9-14/h1-6,9-11,13,16,24-25H,7-8,12H2
InChIKeyCSSQHDGDTFZGEX-UHFFFAOYSA-N
XLogP3.93
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol?
The IUPAC name of [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol (CID 134489254) is [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol.
What is the SMILES notation for [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol?
The canonical SMILES for [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol is OCC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1.
What is the InChIKey of [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol?
The InChIKey is CSSQHDGDTFZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-12-13-7-16(8-13)26-21-4-2-15(10-23-21)14-1-3-17-18-11-22-6-5-19(18)24-20(17)9-14/h1-6,9-11,13,16,24-25H,7-8,12H2.
What are the key properties of [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol?
[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol has a molecular weight of 345.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]methanol is sourced from PubChem (CID 134489254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).