[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone

C30H31F3N8O — CID 168822676

IUPAC[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1cc(Cc2nccn3c(-c4cn(Cc5cc(C)n(C)n5)nc4C(F)(F)F)cnc23)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C30H31F3N8O/c1-19-13-21(7-8-23(19)29(42)39-10-5-4-6-11-39)15-25-28-35-16-26(41(28)12-9-34-25)24-18-40(37-27(24)30(31,32)33)17-22-14-20(2)38(3)36-22/h7-9,12-14,16,18H,4-6,10-11,15,17H2,1-3H3
InChIKeyBLEUDOXKIUQBKY-UHFFFAOYSA-N
MW576.63 g/mol
LogP5.23
Rot. Bonds6

About [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone

[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone (PubChem CID 168822676) has the molecular formula C30H31F3N8O and a molecular weight of 576.63 g/mol. Its IUPAC name is [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone
PubChem CID168822676
Molecular FormulaC30H31F3N8O
Molecular Weight576.63 g/mol
Exact Mass576.26
IUPAC Name[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1cc(Cc2nccn3c(-c4cn(Cc5cc(C)n(C)n5)nc4C(F)(F)F)cnc23)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C30H31F3N8O/c1-19-13-21(7-8-23(19)29(42)39-10-5-4-6-11-39)15-25-28-35-16-26(41(28)12-9-34-25)24-18-40(37-27(24)30(31,32)33)17-22-14-20(2)38(3)36-22/h7-9,12-14,16,18H,4-6,10-11,15,17H2,1-3H3
InChIKeyBLEUDOXKIUQBKY-UHFFFAOYSA-N
XLogP5.23
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

cyclohexyl-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822500
(3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822726
[2,6-dimethyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 168822570
[(1R,3R)-3-methylcyclopentyl]-[4-[2-methyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822469
cyclohexyl-[4-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822659
(3,3-dimethylcyclobutyl)-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]methanone
CID 168822238
1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
CID 168822234
1-[2-ethyl-4-[[3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]-4-propoxybutan-1-one
CID 168822842
1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]hexan-1-one
CID 168822678
N-butyl-2-ethyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzamide
CID 168822261
3-cyclobutyl-1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
CID 168822790
cyclohexyl-[4-[[3-[1-[(6-methoxypyridazin-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone
CID 168822839

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone (CID 168822676) is [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone is Cc1cc(Cc2nccn3c(-c4cn(Cc5cc(C)n(C)n5)nc4C(F)(F)F)cnc23)ccc1C(=O)N1CCCCC1.
What is the InChIKey of [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone?
The InChIKey is BLEUDOXKIUQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N8O/c1-19-13-21(7-8-23(19)29(42)39-10-5-4-6-11-39)15-25-28-35-16-26(41(28)12-9-34-25)24-18-40(37-27(24)30(31,32)33)17-22-14-20(2)38(3)36-22/h7-9,12-14,16,18H,4-6,10-11,15,17H2,1-3H3.
What are the key properties of [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone?
[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone has a molecular weight of 576.63 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 168822676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).