[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol

C20H15N5OS — CID 58514798

IUPAC[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cs1
InChIInChI=1S/C20H15N5OS/c26-11-16-9-15(12-27-16)18-5-6-19-20(22-18)25(24-23-19)10-13-3-4-17-14(8-13)2-1-7-21-17/h1-9,12,26H,10-11H2
InChIKeyMZFIFYQYUZGDPI-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.64
Rot. Bonds4

About [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol

[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol (PubChem CID 58514798) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
PubChem CID58514798
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cs1
InChIInChI=1S/C20H15N5OS/c26-11-16-9-15(12-27-16)18-5-6-19-20(22-18)25(24-23-19)10-13-3-4-17-14(8-13)2-1-7-21-17/h1-9,12,26H,10-11H2
InChIKeyMZFIFYQYUZGDPI-UHFFFAOYSA-N
XLogP3.64
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The IUPAC name of [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol (CID 58514798) is [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol is OCc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cs1.
What is the InChIKey of [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The InChIKey is MZFIFYQYUZGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-11-16-9-15(12-27-16)18-5-6-19-20(22-18)25(24-23-19)10-13-3-4-17-14(8-13)2-1-7-21-17/h1-9,12,26H,10-11H2.
What are the key properties of [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol has a molecular weight of 373.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 58514798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).