[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C18H18ClN7O2 — CID 134503335

IUPAC[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1
InChIInChI=1S/C18H18ClN7O2/c1-12-7-15(16(20-8-12)26-23-4-5-24-26)17(27)25-6-2-3-14(11-25)28-18-21-9-13(19)10-22-18/h4-5,7-10,14H,2-3,6,11H2,1H3
InChIKeyIJPZXMABYCEXMU-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.10
Rot. Bonds4

About [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 134503335) has the molecular formula C18H18ClN7O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
PubChem CID134503335
Molecular FormulaC18H18ClN7O2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
SMILESCc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1
InChIInChI=1S/C18H18ClN7O2/c1-12-7-15(16(20-8-12)26-23-4-5-24-26)17(27)25-6-2-3-14(11-25)28-18-21-9-13(19)10-22-18/h4-5,7-10,14H,2-3,6,11H2,1H3
InChIKeyIJPZXMABYCEXMU-UHFFFAOYSA-N
XLogP2.10
TPSA98.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503138
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122267298
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 134503335) is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1cnc(-n2nccn2)c(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1.
What is the InChIKey of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
The InChIKey is IJPZXMABYCEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O2/c1-12-7-15(16(20-8-12)26-23-4-5-24-26)17(27)25-6-2-3-14(11-25)28-18-21-9-13(19)10-22-18/h4-5,7-10,14H,2-3,6,11H2,1H3.
What are the key properties of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 399.84 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 134503335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).