1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

C108H118F2N48O3 — CID 167570895

About 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167570895) has the molecular formula C108H118F2N48O3 and a molecular weight of 2174.46 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 167570895
• Molecular Formula: C108H118F2N48O3
• Molecular Weight: 2174.46 g/mol
• Exact Mass: 2173.05
• IUPAC Name: 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3COC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCC3CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC3CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CC3CCC(C1)O3)nn2C
• InChI: InChI=1S/C20H22N8O.C19H22N8.C18H20N8.C17H18F2N8.2C17H18N8O/c1-11-5-17-22-10-23-28(17)9-15(11)24-20-21-8-16-19(25-20)18(26-27(16)2)12-6-13-3-4-14(7-12)29-13;1-12-8-17-21-11-22-27(17)10-16(12)23-19-20-9-15-13(2)25-26(18(15)24-19)7-3-4-14-5-6-14;1-11-7-16-20-10-21-26(16)9-15(11)22-18-19-8-14-12(2)24-25(17(14)23-18)6-5-13-3-4-13;1-10-6-15-21-9-22-27(15)8-13(10)23-17-20-7-12-11(2)25-26(16(12)24-17)5-3-4-14(18)19;1-10-3-15-19-9-20-24(15)6-14(10)21-17-18-4-13-11(2)23-25(16(13)22-17)5-12-7-26-8-12;1-10-5-15-19-9-20-24(15)8-14(10)21-17-18-6-13-11(2)23-25(16(13)22-17)7-12-3-4-26-12/h5,8-10,12-14H,3-4,6-7H2,1-2H3,(H,21,24,25);8-11,14H,3-7H2,1-2H3,(H,20,23,24);7-10,13H,3-6H2,1-2H3,(H,19,22,23);6-9,14H,3-5H2,1-2H3,(H,20,23,24);3-4,6,9,12H,5,7-8H2,1-2H3,(H,18,21,22);5-6,8-9,12H,3-4,7H2,1-2H3,(H,18,21,22)
• InChIKey: FWXHNXVBCWLJKD-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 542.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.46
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 167570895) is 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3COC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCC3CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC3CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CC3CCC(C1)O3)nn2C.

What is the InChIKey of 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is FWXHNXVBCWLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O.C19H22N8.C18H20N8.C17H18F2N8.2C17H18N8O/c1-11-5-17-22-10-23-28(17)9-15(11)24-20-21-8-16-19(25-20)18(26-27(16)2)12-6-13-3-4-14(7-12)29-13;1-12-8-17-21-11-22-27(17)10-16(12)23-19-20-9-15-13(2)25-26(18(15)24-19)7-3-4-14-5-6-14;1-11-7-16-20-10-21-26(16)9-15(11)22-18-19-8-14-12(2)24-25(17(14)23-18)6-5-13-3-4-13;1-10-6-15-21-9-22-27(15)8-13(10)23-17-20-7-12-11(2)25-26(16(12)24-17)5-3-4-14(18)19;1-10-3-15-19-9-20-24(15)6-14(10)21-17-18-4-13-11(2)23-25(16(13)22-17)5-12-7-26-8-12;1-10-5-15-19-9-20-24(15)8-14(10)21-17-18-6-13-11(2)23-25(16(13)22-17)7-12-3-4-26-12/h5,8-10,12-14H,3-4,6-7H2,1-2H3,(H,21,24,25);8-11,14H,3-7H2,1-2H3,(H,20,23,24);7-10,13H,3-6H2,1-2H3,(H,19,22,23);6-9,14H,3-5H2,1-2H3,(H,20,23,24);3-4,6,9,12H,5,7-8H2,1-2H3,(H,18,21,22);5-6,8-9,12H,3-4,7H2,1-2H3,(H,18,21,22).

What are the key properties of 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?

1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 2174.46 g/mol, XLogP of 16.50, 28 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167570895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).