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

C23H23N5O2 — CID 118471079

IUPAC(3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C23H23N5O2/c1-15-10-20(28-23(26-15)24-14-25-28)18-8-5-9-27(13-18)22(29)19-11-16-6-3-4-7-17(16)12-21(19)30-2/h3-4,6-7,10-12,14,18H,5,8-9,13H2,1-2H3
InChIKeyWJUXFOUYSFBKAG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.61
Rot. Bonds3

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

(3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471079) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471079
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C23H23N5O2/c1-15-10-20(28-23(26-15)24-14-25-28)18-8-5-9-27(13-18)22(29)19-11-16-6-3-4-7-17(16)12-21(19)30-2/h3-4,6-7,10-12,14,18H,5,8-9,13H2,1-2H3
InChIKeyWJUXFOUYSFBKAG-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 (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471079) is (3-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 (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1cc2ccccc2cc1C(=O)N1CCCC(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is WJUXFOUYSFBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-10-20(28-23(26-15)24-14-25-28)18-8-5-9-27(13-18)22(29)19-11-16-6-3-4-7-17(16)12-21(19)30-2/h3-4,6-7,10-12,14,18H,5,8-9,13H2,1-2H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(3-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 (3-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 118471079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).