[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone

C21H20N6O — CID 118471019

IUPAC[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1
InChIInChI=1S/C21H20N6O/c1-14-10-19(27-21(25-14)23-13-24-27)17-5-3-9-26(12-17)20(28)16-6-7-18-15(11-16)4-2-8-22-18/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3
InChIKeyMWECZQIFJLXLKI-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.00
Rot. Bonds2

About [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone

[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 118471019) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID118471019
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1
InChIInChI=1S/C21H20N6O/c1-14-10-19(27-21(25-14)23-13-24-27)17-5-3-9-26(12-17)20(28)16-6-7-18-15(11-16)4-2-8-22-18/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3
InChIKeyMWECZQIFJLXLKI-UHFFFAOYSA-N
XLogP3.00
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone (CID 118471019) is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone is Cc1cc(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1.
What is the InChIKey of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is MWECZQIFJLXLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-10-19(27-21(25-14)23-13-24-27)17-5-3-9-26(12-17)20(28)16-6-7-18-15(11-16)4-2-8-22-18/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3.
What are the key properties of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 372.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 118471019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).