methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C39H36F6N16O7 — CID 158441082

IUPACmethane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESC.Cc1ncc(-c2cncc(N)n2)cc1C(F)(F)F.Cc1ncc(-c2cncc(NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)n2)cc1C(F)(F)F.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)O
InChIInChI=1S/C19H15F3N8O3.C11H9F3N4.C8H8N4O4.CH4/c1-9-11(19(20,21)22)3-10(4-24-9)12-5-23-6-13(26-12)27-14(31)7-30-8-25-16-15(30)17(32)28-18(33)29(16)2;1-6-8(11(12,13)14)2-7(3-17-6)9-4-16-5-10(15)18-9;1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;/h3-6,8H,7H2,1-2H3,(H,26,27,31)(H,28,32,33);2-5H,1H3,(H2,15,18);3H,2H2,1H3,(H,13,14)(H,10,15,16);1H4
InChIKeyHCUXPDUFRKPIQT-UHFFFAOYSA-N
MW954.81 g/mol
LogP2.83
Rot. Bonds7

About methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 158441082) has the molecular formula C39H36F6N16O7 and a molecular weight of 954.81 g/mol. Its IUPAC name is methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Namemethane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID158441082
Molecular FormulaC39H36F6N16O7
Molecular Weight954.81 g/mol
Exact Mass954.29
IUPAC Namemethane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESC.Cc1ncc(-c2cncc(N)n2)cc1C(F)(F)F.Cc1ncc(-c2cncc(NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)n2)cc1C(F)(F)F.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)O
InChIInChI=1S/C19H15F3N8O3.C11H9F3N4.C8H8N4O4.CH4/c1-9-11(19(20,21)22)3-10(4-24-9)12-5-23-6-13(26-12)27-14(31)7-30-8-25-16-15(30)17(32)28-18(33)29(16)2;1-6-8(11(12,13)14)2-7(3-17-6)9-4-16-5-10(15)18-9;1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;/h3-6,8H,7H2,1-2H3,(H,26,27,31)(H,28,32,33);2-5H,1H3,(H2,15,18);3H,2H2,1H3,(H,13,14)(H,10,15,16);1H4
InChIKeyHCUXPDUFRKPIQT-UHFFFAOYSA-N
XLogP2.83
TPSA315.12 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.81
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine 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

Imidazo[1,2-a]pyridin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098988
2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 118961432
3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]purine-2,6-dione
CID 134205583
3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione
CID 134205595
7-Benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione
CID 134220520
7-Benzyl-3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
CID 134220539
Antazoline 7-theophyllineacetate
CID 170350
(S)-2-(3-Methyl-1-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-(2-(trifluoromethyl)pyrimidin-5-yl)pyridin-2-yl)propanamide
CID 118961431
8-(4-((6-(t-Butyl)pyridin-3-yl)methyl)piperazin-1-yl)-7-(2-fluorobenzyl)-3-methyl-3,7-dihydro-1h-purine-2,6-dione
CID 155410051
3-Methyl-7-(3-methylbut-2-enyl)-1-(2-oxo-2-pyridin-3-ylethyl)-8-piperazin-1-ylpurine-2,6-dione;2,2,2-trifluoroacetic acid
CID 22029377
7-But-2-ynyl-3-methyl-8-piperazin-1-yl-1-(pyridin-4-ylmethyl)purine-2,6-dione;2,2,2-trifluoroacetic acid
CID 22029394
7-But-2-ynyl-3-methyl-8-piperazin-1-yl-1-(pyridin-3-ylmethyl)purine-2,6-dione;2,2,2-trifluoroacetic acid
CID 22029485

Frequently Asked Questions

What is the IUPAC name of methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 158441082) is methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is C.Cc1ncc(-c2cncc(N)n2)cc1C(F)(F)F.Cc1ncc(-c2cncc(NC(=O)Cn3cnc4c3c(=O)[nH]c(=O)n4C)n2)cc1C(F)(F)F.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)O.
What is the InChIKey of methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is HCUXPDUFRKPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O3.C11H9F3N4.C8H8N4O4.CH4/c1-9-11(19(20,21)22)3-10(4-24-9)12-5-23-6-13(26-12)27-14(31)7-30-8-25-16-15(30)17(32)28-18(33)29(16)2;1-6-8(11(12,13)14)2-7(3-17-6)9-4-16-5-10(15)18-9;1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;/h3-6,8H,7H2,1-2H3,(H,26,27,31)(H,28,32,33);2-5H,1H3,(H2,15,18);3H,2H2,1H3,(H,13,14)(H,10,15,16);1H4.
What are the key properties of methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 954.81 g/mol, XLogP of 2.83, 7 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 158441082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).