methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate

C24H26N6O4 — CID 144651679

IUPACmethyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCC2)ccnc1O[C@@H]1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C24H26N6O4/c1-33-24(32)21-20(28-14-5-15-28)9-10-25-22(21)34-17-6-4-13-29(16-17)23(31)18-7-2-3-8-19(18)30-26-11-12-27-30/h2-3,7-12,17H,4-6,13-16H2,1H3/t17-/m1/s1
InChIKeyFRMONZLENHLMEM-QGZVFWFLSA-N
MW462.51 g/mol
LogP2.34
Rot. Bonds6

About methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate

methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate (PubChem CID 144651679) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
PubChem CID144651679
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namemethyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(N2CCC2)ccnc1O[C@@H]1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C24H26N6O4/c1-33-24(32)21-20(28-14-5-15-28)9-10-25-22(21)34-17-6-4-13-29(16-17)23(31)18-7-2-3-8-19(18)30-26-11-12-27-30/h2-3,7-12,17H,4-6,13-16H2,1H3/t17-/m1/s1
InChIKeyFRMONZLENHLMEM-QGZVFWFLSA-N
XLogP2.34
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate with MolForge

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Related Compounds

(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227
ethane;methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610226
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 144872023
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
[3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145108195
methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate
CID 140697799

Frequently Asked Questions

What is the IUPAC name of methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate (CID 144651679) is methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate is COC(=O)c1c(N2CCC2)ccnc1O[C@@H]1CCCN(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The InChIKey is FRMONZLENHLMEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-33-24(32)21-20(28-14-5-15-28)9-10-25-22(21)34-17-6-4-13-29(16-17)23(31)18-7-2-3-8-19(18)30-26-11-12-27-30/h2-3,7-12,17H,4-6,13-16H2,1H3/t17-/m1/s1.
What are the key properties of methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 144651679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).