7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one

C24H25FN8O3 — CID 155205623

IUPAC7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1)N1CCc2cn[nH]c2C1
InChIInChI=1S/C24H25FN8O3/c25-18-3-1-16(2-4-18)20-12-26-21-22(34)32(15-28-33(20)21)14-24(36)6-9-30(10-7-24)23(35)31-8-5-17-11-27-29-19(17)13-31/h1-4,11-12,15,36H,5-10,13-14H2,(H,27,29)
InChIKeyNXHNJCNJKJUALZ-UHFFFAOYSA-N
MW492.52 g/mol
LogP1.43
Rot. Bonds3

About 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one

7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 155205623) has the molecular formula C24H25FN8O3 and a molecular weight of 492.52 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID155205623
Molecular FormulaC24H25FN8O3
Molecular Weight492.52 g/mol
Exact Mass492.20
IUPAC Name7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1)N1CCc2cn[nH]c2C1
InChIInChI=1S/C24H25FN8O3/c25-18-3-1-16(2-4-18)20-12-26-21-22(34)32(15-28-33(20)21)14-24(36)6-9-30(10-7-24)23(35)31-8-5-17-11-27-29-19(17)13-31/h1-4,11-12,15,36H,5-10,13-14H2,(H,27,29)
InChIKeyNXHNJCNJKJUALZ-UHFFFAOYSA-N
XLogP1.43
TPSA124.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

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
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-7-(1H-indazol-6-yl)imidazo[2,1-f][1,2,4]triazin-4-one
CID 155205935
7-[4-(aminomethyl)phenyl]-3-[[1-[4,4-difluoro-3-(3-fluoropyrazol-1-yl)butanoyl]-4-hydroxypiperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
CID 155205662
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
7-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
CID 155206101
3-[[4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl]methyl]-7-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]imidazo[2,1-f][1,2,4]triazin-4-one
CID 155205948
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
N-[(4-fluorophenyl)methyl]-4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxamide
CID 121436377
3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one
CID 155205874
benzyl 4-hydroxy-4-[[7-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]-4-oxoimidazo[2,1-f][1,2,4]triazin-3-yl]methyl]piperidine-1-carboxylate
CID 155195706
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one (CID 155205623) is 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one is O=C(N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1)N1CCc2cn[nH]c2C1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NXHNJCNJKJUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O3/c25-18-3-1-16(2-4-18)20-12-26-21-22(34)32(15-28-33(20)21)14-24(36)6-9-30(10-7-24)23(35)31-8-5-17-11-27-29-19(17)13-31/h1-4,11-12,15,36H,5-10,13-14H2,(H,27,29).
What are the key properties of 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 492.52 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[[4-hydroxy-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonyl)piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).