1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine

C103H112F5N47O2 — CID 167700081

IUPAC1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2nccn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC(F)(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C
InChIInChI=1S/2C19H22N8O.C17H17F3N8.C17H19N7.C16H18N8.C15H14F2N8/c2*1-11-6-16-21-10-22-27(16)8-14(11)23-19-20-7-15-18(24-19)17(25-26(15)3)13-4-5-28-9-12(13)2;1-10-6-14-22-9-23-28(14)8-13(10)24-16-21-7-12-11(2)26-27(15(12)25-16)5-3-4-17(18,19)20;1-10(2)24-16-13(12(4)22-24)8-19-17(21-16)20-14-9-23-6-5-18-15(23)7-11(14)3;1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-8-3-13-19-7-20-24(13)5-11(8)21-15-18-4-10-9(2)23-25(6-12(16)17)14(10)22-15/h2*6-8,10,12-13H,4-5,9H2,1-3H3,(H,20,23,24);6-9H,3-5H2,1-2H3,(H,21,24,25);5-10H,1-4H3,(H,19,20,21);5-9H,1-4H3,(H,17,20,21);3-5,7,12H,6H2,1-2H3,(H,18,21,22)
InChIKeyYFZJLXQBYNEOFM-UHFFFAOYSA-N
MW2135.35 g/mol
LogP17.49
Rot. Bonds21

About 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167700081) has the molecular formula C103H112F5N47O2 and a molecular weight of 2135.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID167700081
Molecular FormulaC103H112F5N47O2
Molecular Weight2135.35 g/mol
Exact Mass2134.00
IUPAC Name1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2nccn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC(F)(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C
InChIInChI=1S/2C19H22N8O.C17H17F3N8.C17H19N7.C16H18N8.C15H14F2N8/c2*1-11-6-16-21-10-22-27(16)8-14(11)23-19-20-7-15-18(24-19)17(25-26(15)3)13-4-5-28-9-12(13)2;1-10-6-14-22-9-23-28(14)8-13(10)24-16-21-7-12-11(2)26-27(15(12)25-16)5-3-4-17(18,19)20;1-10(2)24-16-13(12(4)22-24)8-19-17(21-16)20-14-9-23-6-5-18-15(23)7-11(14)3;1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-8-3-13-19-7-20-24(13)5-11(8)21-15-18-4-10-9(2)23-25(6-12(16)17)14(10)22-15/h2*6-8,10,12-13H,4-5,9H2,1-3H3,(H,20,23,24);6-9H,3-5H2,1-2H3,(H,21,24,25);5-10H,1-4H3,(H,19,20,21);5-9H,1-4H3,(H,17,20,21);3-5,7,12H,6H2,1-2H3,(H,18,21,22)
InChIKeyYFZJLXQBYNEOFM-UHFFFAOYSA-N
XLogP17.49
TPSA520.49 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds21
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.35
LogP ≤ 517.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

US9725449, Example 270
CID 122686547
US9725449, Example 247
CID 138403655
US9266891, III-43
CID 76070736
US9725449, Example 229
CID 122686367
US9725449, Example 154
CID 138403652
US9725449, Example 150
CID 122687160
US9725449, Example 252
CID 122694898
US9725449, Example 148
CID 122686375
US9725449, Example 149
CID 122686405
US9725449, Example 251
CID 122694896
US10544143, Example 75
CID 138686399
US10730877, Example 771
CID 138686743

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 167700081) is 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCC(F)(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1C)nn2C.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is YFZJLXQBYNEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N8O.C17H17F3N8.C17H19N7.C16H18N8.C15H14F2N8/c2*1-11-6-16-21-10-22-27(16)8-14(11)23-19-20-7-15-18(24-19)17(25-26(15)3)13-4-5-28-9-12(13)2;1-10-6-14-22-9-23-28(14)8-13(10)24-16-21-7-12-11(2)26-27(15(12)25-16)5-3-4-17(18,19)20;1-10(2)24-16-13(12(4)22-24)8-19-17(21-16)20-14-9-23-6-5-18-15(23)7-11(14)3;1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-8-3-13-19-7-20-24(13)5-11(8)21-15-18-4-10-9(2)23-25(6-12(16)17)14(10)22-15/h2*6-8,10,12-13H,4-5,9H2,1-3H3,(H,20,23,24);6-9H,3-5H2,1-2H3,(H,21,24,25);5-10H,1-4H3,(H,19,20,21);5-9H,1-4H3,(H,17,20,21);3-5,7,12H,6H2,1-2H3,(H,18,21,22).
What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 2135.35 g/mol, XLogP of 17.49, 21 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167700081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).