(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone

C21H24N6O3 — CID 23110234

IUPAC(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)nc2-c2ccc(C)cn2)cn1
InChIInChI=1S/C21H24N6O3/c1-14-4-6-17(22-12-14)20-24-19(21(28)26-10-8-16(29-2)9-11-26)25-27(20)15-5-7-18(30-3)23-13-15/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyPVMXUFDVPIOMAW-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.29
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone

(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone (PubChem CID 23110234) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone
PubChem CID23110234
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)nc2-c2ccc(C)cn2)cn1
InChIInChI=1S/C21H24N6O3/c1-14-4-6-17(22-12-14)20-24-19(21(28)26-10-8-16(29-2)9-11-26)25-27(20)15-5-7-18(30-3)23-13-15/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyPVMXUFDVPIOMAW-UHFFFAOYSA-N
XLogP2.29
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carbonyl]-1-methylpiperazin-2-one
CID 59728894
[5-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23110237
[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 59003534
1-[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]azetidine-2-carboxylic acid
CID 23110136
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
CID 23110149
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone (CID 23110234) is (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone is COc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)nc2-c2ccc(C)cn2)cn1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone?
The InChIKey is PVMXUFDVPIOMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-4-6-17(22-12-14)20-24-19(21(28)26-10-8-16(29-2)9-11-26)25-27(20)15-5-7-18(30-3)23-13-15/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone?
(4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone has a molecular weight of 408.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 23110234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).