2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

C69H67F3N22O6 — CID 162069786

IUPAC2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C(C)(F)F)cn2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C)cc2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(F)c(C)c2)C(=O)N3)cn2ncnc12
InChIInChI=1S/C23H22F2N8O2.C23H22FN7O2.C23H23N7O2/c1-4-5-6-13-19-27-11-28-33(19)10-14(29-13)17-30-18-16(20(34)31-17)22(2,21(35)32-18)15-8-7-12(9-26-15)23(3,24)25;1-4-5-6-15-20-25-11-26-31(20)10-16(27-15)18-28-19-17(21(32)29-18)23(3,22(33)30-19)13-7-8-14(24)12(2)9-13;1-4-5-6-15-20-24-12-25-30(20)11-16(26-15)18-27-19-17(21(31)28-18)23(3,22(32)29-19)14-9-7-13(2)8-10-14/h7-11H,4-6H2,1-3H3,(H2,30,31,32,34,35);7-11H,4-6H2,1-3H3,(H2,28,29,30,32,33);7-12H,4-6H2,1-3H3,(H2,27,28,29,31,32)
InChIKeyZAXQCBCZFNMVRB-UHFFFAOYSA-N
MW1357.44 g/mol
LogP8.69
Rot. Bonds16

About 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (PubChem CID 162069786) has the molecular formula C69H67F3N22O6 and a molecular weight of 1357.44 g/mol. Its IUPAC name is 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
PubChem CID162069786
Molecular FormulaC69H67F3N22O6
Molecular Weight1357.44 g/mol
Exact Mass1356.56
IUPAC Name2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C(C)(F)F)cn2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C)cc2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(F)c(C)c2)C(=O)N3)cn2ncnc12
InChIInChI=1S/C23H22F2N8O2.C23H22FN7O2.C23H23N7O2/c1-4-5-6-13-19-27-11-28-33(19)10-14(29-13)17-30-18-16(20(34)31-17)22(2,21(35)32-18)15-8-7-12(9-26-15)23(3,24)25;1-4-5-6-15-20-25-11-26-31(20)10-16(27-15)18-28-19-17(21(32)29-18)23(3,22(33)30-19)13-7-8-14(24)12(2)9-13;1-4-5-6-15-20-24-12-25-30(20)11-16(26-15)18-27-19-17(21(31)28-18)23(3,22(32)29-19)14-9-7-13(2)8-10-14/h7-11H,4-6H2,1-3H3,(H2,30,31,32,34,35);7-11H,4-6H2,1-3H3,(H2,28,29,30,32,33);7-12H,4-6H2,1-3H3,(H2,27,28,29,31,32)
InChIKeyZAXQCBCZFNMVRB-UHFFFAOYSA-N
XLogP8.69
TPSA366.68 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.44
LogP ≤ 58.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione with MolForge

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Related Compounds

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CID 76282805
N-(6-(2-(4-Fluorophenyl)-5,6,7,8-tetrahydroimidazo [1,2-a]pyrazin-3-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 76283051
N-(6-(7-Acetyl-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 90240937
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CID 90246264
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
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N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide
CID 118537148
N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
CID 118537213
6'-Fluoro-N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-[3,3'-bipyridine]-5-carboxamide
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CID 118538693

Frequently Asked Questions

What is the IUPAC name of 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The IUPAC name of 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (CID 162069786) is 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C(C)(F)F)cn2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(C)cc2)C(=O)N3)cn2ncnc12.CCCCc1nc(-c2nc3c(c(=O)[nH]2)C(C)(c2ccc(F)c(C)c2)C(=O)N3)cn2ncnc12.
What is the InChIKey of 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The InChIKey is ZAXQCBCZFNMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O2.C23H22FN7O2.C23H23N7O2/c1-4-5-6-13-19-27-11-28-33(19)10-14(29-13)17-30-18-16(20(34)31-17)22(2,21(35)32-18)15-8-7-12(9-26-15)23(3,24)25;1-4-5-6-15-20-25-11-26-31(20)10-16(27-15)18-28-19-17(21(32)29-18)23(3,22(33)30-19)13-7-8-14(24)12(2)9-13;1-4-5-6-15-20-24-12-25-30(20)11-16(26-15)18-27-19-17(21(31)28-18)23(3,22(32)29-19)14-9-7-13(2)8-10-14/h7-11H,4-6H2,1-3H3,(H2,30,31,32,34,35);7-11H,4-6H2,1-3H3,(H2,28,29,30,32,33);7-12H,4-6H2,1-3H3,(H2,27,28,29,31,32).
What are the key properties of 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione has a molecular weight of 1357.44 g/mol, XLogP of 8.69, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-[5-(1,1-difluoroethyl)-2-pyridinyl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-(4-fluoro-3-methylphenyl)-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;2-(8-butyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-5-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is sourced from PubChem (CID 162069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).