(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone

C26H22N6O2 — CID 66995253

IUPAC(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1)N1CCC(O)C1
InChIInChI=1S/C26H22N6O2/c33-21-11-13-31(16-21)26(34)19-6-4-18(5-7-19)23-9-10-24-25(28-23)32(30-29-24)15-17-3-8-22-20(14-17)2-1-12-27-22/h1-10,12,14,21,33H,11,13,15-16H2
InChIKeyPVTSKCPMMQTBBF-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.30
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone

(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone (PubChem CID 66995253) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone
PubChem CID66995253
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1)N1CCC(O)C1
InChIInChI=1S/C26H22N6O2/c33-21-11-13-31(16-21)26(34)19-6-4-18(5-7-19)23-9-10-24-25(28-23)32(30-29-24)15-17-3-8-22-20(14-17)2-1-12-27-22/h1-10,12,14,21,33H,11,13,15-16H2
InChIKeyPVTSKCPMMQTBBF-UHFFFAOYSA-N
XLogP3.30
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone 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 (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone (CID 66995253) is (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone is O=C(c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone?
The InChIKey is PVTSKCPMMQTBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c33-21-11-13-31(16-21)26(34)19-6-4-18(5-7-19)23-9-10-24-25(28-23)32(30-29-24)15-17-3-8-22-20(14-17)2-1-12-27-22/h1-10,12,14,21,33H,11,13,15-16H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone?
(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone has a molecular weight of 450.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone is sourced from PubChem (CID 66995253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).