(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C20H23N5O2 — CID 118471545

IUPAC(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C20H23N5O2/c1-13-6-7-18(27-3)16(9-13)19(26)24-8-4-5-15(11-24)17-10-14(2)23-20-21-12-22-25(17)20/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyJZNTWUQMEUWYQA-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.77
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471545) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471545
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C20H23N5O2/c1-13-6-7-18(27-3)16(9-13)19(26)24-8-4-5-15(11-24)17-10-14(2)23-20-21-12-22-25(17)20/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyJZNTWUQMEUWYQA-UHFFFAOYSA-N
XLogP2.77
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471545) is (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccc(C)cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is JZNTWUQMEUWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-6-7-18(27-3)16(9-13)19(26)24-8-4-5-15(11-24)17-10-14(2)23-20-21-12-22-25(17)20/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).