5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C75H80BCl2F8IN28O2 — CID 167591485

About 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 167591485) has the molecular formula C75H80BCl2F8IN28O2 and a molecular weight of 1766.26 g/mol. Its IUPAC name is 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

• Compound Name: 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
• PubChem CID: 167591485
• Molecular Formula: C75H80BCl2F8IN28O2
• Molecular Weight: 1766.26 g/mol
• Exact Mass: 1764.54
• IUPAC Name: 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
• SMILES: CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1=CCC(F)(F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(F)(F)CC1)nn2C.Cn1nc(C2=CCC(F)(F)CC2)c2nc(Cl)ncc21.Cn1nc(I)c2nc(Cl)ncc21
• InChI: InChI=1S/C19H20F2N8.C19H18F2N8.C12H19BF2O2.C12H11ClF2N4.C7H8N4.C6H4ClIN4/c2*1-11-7-15-23-10-24-29(15)9-13(11)25-18-22-8-14-17(26-18)16(27-28(14)2)12-3-5-19(20,21)6-4-12;1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9;1-19-8-6-16-11(13)17-10(8)9(18-19)7-2-4-12(14,15)5-3-7;1-5-2-7-9-4-10-11(7)3-6(5)8;1-12-3-2-9-6(7)10-4(3)5(8)11-12/h7-10,12H,3-6H2,1-2H3,(H,22,25,26);3,7-10H,4-6H2,1-2H3,(H,22,25,26);5H,6-8H2,1-4H3;2,6H,3-5H2,1H3;2-4H,8H2,1H3;2H,1H3
• InChIKey: IMNZAFJDYKMKGY-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 333.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.26
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?

The IUPAC name of 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 167591485) is 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

What is the SMILES notation for 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?

The canonical SMILES for 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1=CCC(F)(F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(F)(F)CC1)nn2C.Cn1nc(C2=CCC(F)(F)CC2)c2nc(Cl)ncc21.Cn1nc(I)c2nc(Cl)ncc21.

What is the InChIKey of 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?

The InChIKey is IMNZAFJDYKMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N8.C19H18F2N8.C12H19BF2O2.C12H11ClF2N4.C7H8N4.C6H4ClIN4/c2*1-11-7-15-23-10-24-29(15)9-13(11)25-18-22-8-14-17(26-18)16(27-28(14)2)12-3-5-19(20,21)6-4-12;1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9;1-19-8-6-16-11(13)17-10(8)9(18-19)7-2-4-12(14,15)5-3-7;1-5-2-7-9-4-10-11(7)3-6(5)8;1-12-3-2-9-6(7)10-4(3)5(8)11-12/h7-10,12H,3-6H2,1-2H3,(H,22,25,26);3,7-10H,4-6H2,1-2H3,(H,22,25,26);5H,6-8H2,1-4H3;2,6H,3-5H2,1H3;2-4H,8H2,1H3;2H,1H3.

What are the key properties of 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?

5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 1766.26 g/mol, XLogP of 16.24, 8 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(4,4-difluorocyclohexen-1-yl)-1-methylpyrazolo[4,3-d]pyrimidine;5-chloro-3-iodo-1-methylpyrazolo[4,3-d]pyrimidine;3-(4,4-difluorocyclohexen-1-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 167591485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).