4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride

C21H25ClN8O — CID 154896560

IUPAC4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
SMILESCOc1cccc(-n2cc(Cn3ccnc3-c3cn(C4CCNCC4)nn3)cn2)c1.Cl
InChIInChI=1S/C21H24N8O.ClH/c1-30-19-4-2-3-18(11-19)28-14-16(12-24-28)13-27-10-9-23-21(27)20-15-29(26-25-20)17-5-7-22-8-6-17;/h2-4,9-12,14-15,17,22H,5-8,13H2,1H3;1H
InChIKeyCSIFXPLHSPVAPY-UHFFFAOYSA-N
MW440.94 g/mol
LogP2.73
Rot. Bonds6

About 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride

4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride (PubChem CID 154896560) has the molecular formula C21H25ClN8O and a molecular weight of 440.94 g/mol. Its IUPAC name is 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
PubChem CID154896560
Molecular FormulaC21H25ClN8O
Molecular Weight440.94 g/mol
Exact Mass440.18
IUPAC Name4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
SMILESCOc1cccc(-n2cc(Cn3ccnc3-c3cn(C4CCNCC4)nn3)cn2)c1.Cl
InChIInChI=1S/C21H24N8O.ClH/c1-30-19-4-2-3-18(11-19)28-14-16(12-24-28)13-27-10-9-23-21(27)20-15-29(26-25-20)17-5-7-22-8-6-17;/h2-4,9-12,14-15,17,22H,5-8,13H2,1H3;1H
InChIKeyCSIFXPLHSPVAPY-UHFFFAOYSA-N
XLogP2.73
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride with MolForge

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Related Compounds

4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
CID 72884116
5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
CID 154896103
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride?
The IUPAC name of 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride (CID 154896560) is 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride is COc1cccc(-n2cc(Cn3ccnc3-c3cn(C4CCNCC4)nn3)cn2)c1.Cl.
What is the InChIKey of 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride?
The InChIKey is CSIFXPLHSPVAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O.ClH/c1-30-19-4-2-3-18(11-19)28-14-16(12-24-28)13-27-10-9-23-21(27)20-15-29(26-25-20)17-5-7-22-8-6-17;/h2-4,9-12,14-15,17,22H,5-8,13H2,1H3;1H.
What are the key properties of 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride?
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride has a molecular weight of 440.94 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride is sourced from PubChem (CID 154896560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).