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

C29H28FN7O3 — CID 155205719

IUPAC7-(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
SMILESCC(c1ccccc1)c1[nH]ncc1C(=O)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1
InChIInChI=1S/C29H28FN7O3/c1-19(20-5-3-2-4-6-20)25-23(15-32-34-25)27(38)35-13-11-29(40,12-14-35)17-36-18-33-37-24(16-31-26(37)28(36)39)21-7-9-22(30)10-8-21/h2-10,15-16,18-19,40H,11-14,17H2,1H3,(H,32,34)
InChIKeyQBTLYRSYEQKXTO-UHFFFAOYSA-N
MW541.59 g/mol
LogP3.24
Rot. Bonds6

About 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

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 (PubChem CID 155205719) has the molecular formula C29H28FN7O3 and a molecular weight of 541.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID155205719
Molecular FormulaC29H28FN7O3
Molecular Weight541.59 g/mol
Exact Mass541.22
IUPAC Name7-(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
SMILESCC(c1ccccc1)c1[nH]ncc1C(=O)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1
InChIInChI=1S/C29H28FN7O3/c1-19(20-5-3-2-4-6-20)25-23(15-32-34-25)27(38)35-13-11-29(40,12-14-35)17-36-18-33-37-24(16-31-26(37)28(36)39)21-7-9-22(30)10-8-21/h2-10,15-16,18-19,40H,11-14,17H2,1H3,(H,32,34)
InChIKeyQBTLYRSYEQKXTO-UHFFFAOYSA-N
XLogP3.24
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
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
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-[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
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946
propan-2-yl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate
CID 121436924
5-[[1-(3-benzyl-5-methyl-1,2-thiazole-4-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccccc1)c1[nH]ncc1C(=O)N1CCC(O)(Cn2cnn3c(-c4ccc(F)cc4)cnc3c2=O)CC1.
What is the InChIKey of 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?
The InChIKey is QBTLYRSYEQKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O3/c1-19(20-5-3-2-4-6-20)25-23(15-32-34-25)27(38)35-13-11-29(40,12-14-35)17-36-18-33-37-24(16-31-26(37)28(36)39)21-7-9-22(30)10-8-21/h2-10,15-16,18-19,40H,11-14,17H2,1H3,(H,32,34).
What are the key properties of 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?
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 has a molecular weight of 541.59 g/mol, XLogP of 3.24, 6 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-[5-(1-phenylethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155205719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).