4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C21H26N6O3 — CID 90540785

IUPAC4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOc1c2ccc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)cc2nn1C
InChIInChI=1S/C21H26N6O3/c1-24-20(30-3)16-7-4-14(12-17(16)22-24)19(28)26-10-8-13(9-11-26)18-23-25(2)21(29)27(18)15-5-6-15/h4,7,12-13,15H,5-6,8-11H2,1-3H3
InChIKeyYXRFLAIERBVQRD-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.83
Rot. Bonds4

About 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 90540785) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID90540785
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCOc1c2ccc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)cc2nn1C
InChIInChI=1S/C21H26N6O3/c1-24-20(30-3)16-7-4-14(12-17(16)22-24)19(28)26-10-8-13(9-11-26)18-23-25(2)21(29)27(18)15-5-6-15/h4,7,12-13,15H,5-6,8-11H2,1-3H3
InChIKeyYXRFLAIERBVQRD-UHFFFAOYSA-N
XLogP1.83
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
4-cyclopropyl-2-methyl-5-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540711
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259
3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940655
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 73167665
6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944296
(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609112
4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
1'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 90540785) is 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is COc1c2ccc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)cc2nn1C.
What is the InChIKey of 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is YXRFLAIERBVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-24-20(30-3)16-7-4-14(12-17(16)22-24)19(28)26-10-8-13(9-11-26)18-23-25(2)21(29)27(18)15-5-6-15/h4,7,12-13,15H,5-6,8-11H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 410.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90540785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).