5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

C68H59F9N24O7 — CID 159837739

IUPAC5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCOc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C3CC3)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1
InChIInChI=1S/C24H21F3N8O2.C22H19F3N8O3.C22H19F3N8O2/c1-12-4-7-16(28-9-12)24(13-5-6-13)17-19(34-22(24)37)32-18(33-21(17)36)15-10-35-20(29-11-30-35)14(31-15)3-2-8-23(25,26)27;1-21(14-6-5-11(36-2)8-26-14)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25;1-11-5-6-14(26-8-11)21(2)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25/h4,7,9-11,13H,2-3,5-6,8H2,1H3,(H2,32,33,34,36,37);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35)
InChIKeyNOHICLMDGOTAOX-UHFFFAOYSA-N
MW1495.36 g/mol
LogP8.25
Rot. Bonds17

About 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione

5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (PubChem CID 159837739) has the molecular formula C68H59F9N24O7 and a molecular weight of 1495.36 g/mol. Its IUPAC name is 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
PubChem CID159837739
Molecular FormulaC68H59F9N24O7
Molecular Weight1495.36 g/mol
Exact Mass1494.49
IUPAC Name5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCOc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C3CC3)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1
InChIInChI=1S/C24H21F3N8O2.C22H19F3N8O3.C22H19F3N8O2/c1-12-4-7-16(28-9-12)24(13-5-6-13)17-19(34-22(24)37)32-18(33-21(17)36)15-10-35-20(29-11-30-35)14(31-15)3-2-8-23(25,26)27;1-21(14-6-5-11(36-2)8-26-14)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25;1-11-5-6-14(26-8-11)21(2)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25/h4,7,9-11,13H,2-3,5-6,8H2,1H3,(H2,32,33,34,36,37);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35)
InChIKeyNOHICLMDGOTAOX-UHFFFAOYSA-N
XLogP8.25
TPSA401.69 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001495.36
LogP ≤ 58.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

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

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Related Compounds

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CID 171368386
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CID 171368390
US20240043427, Example 137
CID 171368391
US20240043427, Example 363
CID 171368594
US20240043427, Example 372
CID 171368601
US20240043427, Example 374
CID 171368602
4-amino-5-(5-methoxypyridin-2-yl)-5-methyl-2-[6-(3,3,4,4,4-pentafluorobutyl)-1-(trideuteriomethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118142349
4-amino-5-(5-methoxypyridin-3-yl)-5-methyl-2-[6-(3,3,4,4,4-pentafluorobutyl)-1-(trideuteriomethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118142442
4-amino-5-(5-methoxypyridin-2-yl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118565956
4-amino-5-(5-ethoxypyridin-2-yl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566019
4-amino-5-[5-(difluoromethoxy)pyridin-2-yl]-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567007
4-amino-5-cyclopropyl-5-(5-methoxypyridin-2-yl)-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567045

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The IUPAC name of 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione (CID 159837739) is 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is COc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.Cc1ccc(C2(C3CC3)C(=O)Nc3nc(-c4cn5ncnc5c(CCCC(F)(F)F)n4)[nH]c(=O)c32)nc1.
What is the InChIKey of 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
The InChIKey is NOHICLMDGOTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O2.C22H19F3N8O3.C22H19F3N8O2/c1-12-4-7-16(28-9-12)24(13-5-6-13)17-19(34-22(24)37)32-18(33-21(17)36)15-10-35-20(29-11-30-35)14(31-15)3-2-8-23(25,26)27;1-21(14-6-5-11(36-2)8-26-14)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25;1-11-5-6-14(26-8-11)21(2)15-17(32-20(21)35)30-16(31-19(15)34)13-9-33-18(27-10-28-33)12(29-13)4-3-7-22(23,24)25/h4,7,9-11,13H,2-3,5-6,8H2,1H3,(H2,32,33,34,36,37);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35);5-6,8-10H,3-4,7H2,1-2H3,(H2,30,31,32,34,35).
What are the key properties of 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione?
5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione has a molecular weight of 1495.36 g/mol, XLogP of 8.25, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione is sourced from PubChem (CID 159837739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).