(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol

C21H21N5O2 — CID 172542636

IUPAC(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol
SMILESCn1nnc2cc(-c3ccc4ccc([C@@H](O)C5CCOCC5)cc4n3)cnc21
InChIInChI=1S/C21H21N5O2/c1-26-21-19(24-25-26)11-16(12-22-21)17-5-4-13-2-3-15(10-18(13)23-17)20(27)14-6-8-28-9-7-14/h2-5,10-12,14,20,27H,6-9H2,1H3/t20-/m0/s1
InChIKeyLAIOYZDRKVXFGY-FQEVSTJZSA-N
MW375.43 g/mol
LogP3.04
Rot. Bonds3

About (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol

(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol (PubChem CID 172542636) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol
PubChem CID172542636
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol
SMILESCn1nnc2cc(-c3ccc4ccc([C@@H](O)C5CCOCC5)cc4n3)cnc21
InChIInChI=1S/C21H21N5O2/c1-26-21-19(24-25-26)11-16(12-22-21)17-5-4-13-2-3-15(10-18(13)23-17)20(27)14-6-8-28-9-7-14/h2-5,10-12,14,20,27H,6-9H2,1H3/t20-/m0/s1
InChIKeyLAIOYZDRKVXFGY-FQEVSTJZSA-N
XLogP3.04
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol?
The IUPAC name of (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol (CID 172542636) is (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol.
What is the SMILES notation for (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol?
The canonical SMILES for (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol is Cn1nnc2cc(-c3ccc4ccc([C@@H](O)C5CCOCC5)cc4n3)cnc21.
What is the InChIKey of (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol?
The InChIKey is LAIOYZDRKVXFGY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-21-19(24-25-26)11-16(12-22-21)17-5-4-13-2-3-15(10-18(13)23-17)20(27)14-6-8-28-9-7-14/h2-5,10-12,14,20,27H,6-9H2,1H3/t20-/m0/s1.
What are the key properties of (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol?
(S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol has a molecular weight of 375.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-(3-methyltriazolo[4,5-b]pyridin-6-yl)quinolin-7-yl]-(oxan-4-yl)methanol is sourced from PubChem (CID 172542636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).