7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one

C25H24FN5O3 — CID 121435240

IUPAC7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ccc(C(=O)N2CCC(O)(Cn3cnn4c(-c5ccc(F)cc5)ncc4c3=O)CC2)cc1
InChIInChI=1S/C25H24FN5O3/c1-17-2-4-19(5-3-17)23(32)29-12-10-25(34,11-13-29)15-30-16-28-31-21(24(30)33)14-27-22(31)18-6-8-20(26)9-7-18/h2-9,14,16,34H,10-13,15H2,1H3
InChIKeyUJUIPFVLSGLRFP-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.67
Rot. Bonds4

About 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one

7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 121435240) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID121435240
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ccc(C(=O)N2CCC(O)(Cn3cnn4c(-c5ccc(F)cc5)ncc4c3=O)CC2)cc1
InChIInChI=1S/C25H24FN5O3/c1-17-2-4-19(5-3-17)23(32)29-12-10-25(34,11-13-29)15-30-16-28-31-21(24(30)33)14-27-22(31)18-6-8-20(26)9-7-18/h2-9,14,16,34H,10-13,15H2,1H3
InChIKeyUJUIPFVLSGLRFP-UHFFFAOYSA-N
XLogP2.67
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
CID 169489883
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
3-[[4-hydroxy-1-[4-[4-(piperidine-1-carbonyl)phenyl]benzoyl]piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 121435386
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359
1-(1-cyclopropylpyrazol-4-yl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436599
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436814
1-(3-bromophenyl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222107
7-(4-fluorophenyl)-3-[[4-hydroxy-1-[5-(1-phenylethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
CID 155205719
5-[[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121437006
3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide
CID 121435333
6-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-3-[3-(hydroxymethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-one
CID 122445102
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one (CID 121435240) is 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one is Cc1ccc(C(=O)N2CCC(O)(Cn3cnn4c(-c5ccc(F)cc5)ncc4c3=O)CC2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is UJUIPFVLSGLRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-17-2-4-19(5-3-17)23(32)29-12-10-25(34,11-13-29)15-30-16-28-31-21(24(30)33)14-27-22(31)18-6-8-20(26)9-7-18/h2-9,14,16,34H,10-13,15H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one?
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 461.50 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 121435240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).