3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol

C20H17N3O2 — CID 134481367

IUPAC3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C20H17N3O2/c24-14-8-15(9-14)25-20-4-2-13(10-22-20)12-1-3-16-17-11-21-6-5-18(17)23-19(16)7-12/h1-7,10-11,14-15,23-24H,8-9H2
InChIKeyBPYUEQNNBURAKN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.68
Rot. Bonds3

About 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol

3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol (PubChem CID 134481367) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol
PubChem CID134481367
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C20H17N3O2/c24-14-8-15(9-14)25-20-4-2-13(10-22-20)12-1-3-16-17-11-21-6-5-18(17)23-19(16)7-12/h1-7,10-11,14-15,23-24H,8-9H2
InChIKeyBPYUEQNNBURAKN-UHFFFAOYSA-N
XLogP3.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.68
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]cyclobutan-1-ol?
The IUPAC name of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol (CID 134481367) is 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol is OC1CC(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]cyclobutan-1-ol?
The InChIKey is BPYUEQNNBURAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-14-8-15(9-14)25-20-4-2-13(10-22-20)12-1-3-16-17-11-21-6-5-18(17)23-19(16)7-12/h1-7,10-11,14-15,23-24H,8-9H2.
What are the key properties of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol?
3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutan-1-ol has a molecular weight of 331.38 g/mol, XLogP of 3.68, 3 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]cyclobutan-1-ol is sourced from PubChem (CID 134481367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).