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

C23H23N5O2 — CID 118471606

IUPAC(6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC(c4cc(C)nc5ncnn45)C3)ccc2c1
InChIInChI=1S/C23H23N5O2/c1-15-10-21(28-23(26-15)24-14-25-28)19-4-3-9-27(13-19)22(29)18-6-5-17-12-20(30-2)8-7-16(17)11-18/h5-8,10-12,14,19H,3-4,9,13H2,1-2H3
InChIKeyZZERSLMBPASILP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.61
Rot. Bonds3

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

(6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471606) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471606
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC(c4cc(C)nc5ncnn45)C3)ccc2c1
InChIInChI=1S/C23H23N5O2/c1-15-10-21(28-23(26-15)24-14-25-28)19-4-3-9-27(13-19)22(29)18-6-5-17-12-20(30-2)8-7-16(17)11-18/h5-8,10-12,14,19H,3-4,9,13H2,1-2H3
InChIKeyZZERSLMBPASILP-UHFFFAOYSA-N
XLogP3.61
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471606) is (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCCC(c4cc(C)nc5ncnn45)C3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is ZZERSLMBPASILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-10-21(28-23(26-15)24-14-25-28)19-4-3-9-27(13-19)22(29)18-6-5-17-12-20(30-2)8-7-16(17)11-18/h5-8,10-12,14,19H,3-4,9,13H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).