N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

C81H63F13N22 — CID 162155472

IUPACN-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC(C)(C)c1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]nc3ncccc23)cc(C2CC2)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC2)n1
InChIInChI=1S/C21H19F3N6.C21H16F3N5.C20H15F3N6.C19H13F4N5/c1-20(2,3)15-11-16(28-19-13-8-6-10-25-17(13)29-30-19)27-18(26-15)12-7-4-5-9-14(12)21(22,23)24;22-21(23,24)15-7-3-1-5-13(15)19-25-17(12-9-10-12)11-18(26-19)27-20-14-6-2-4-8-16(14)28-29-20;21-20(22,23)14-6-2-1-4-12(14)18-25-15(11-7-8-11)10-16(26-18)27-19-13-5-3-9-24-17(13)28-29-19;1-10-8-16(26-18-13-9-11(20)6-7-15(13)27-28-18)25-17(24-10)12-4-2-3-5-14(12)19(21,22)23/h4-11H,1-3H3,(H2,25,26,27,28,29,30);1-8,11-12H,9-10H2,(H2,25,26,27,28,29);1-6,9-11H,7-8H2,(H2,24,25,26,27,28,29);2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyZLTQRAOIYMIPLG-UHFFFAOYSA-N
MW1591.52 g/mol
LogP21.42
Rot. Bonds14

About N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 162155472) has the molecular formula C81H63F13N22 and a molecular weight of 1591.52 g/mol. Its IUPAC name is N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID162155472
Molecular FormulaC81H63F13N22
Molecular Weight1591.52 g/mol
Exact Mass1590.54
IUPAC NameN-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC(C)(C)c1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]nc3ncccc23)cc(C2CC2)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC2)n1
InChIInChI=1S/C21H19F3N6.C21H16F3N5.C20H15F3N6.C19H13F4N5/c1-20(2,3)15-11-16(28-19-13-8-6-10-25-17(13)29-30-19)27-18(26-15)12-7-4-5-9-14(12)21(22,23)24;22-21(23,24)15-7-3-1-5-13(15)19-25-17(12-9-10-12)11-18(26-19)27-20-14-6-2-4-8-16(14)28-29-20;21-20(22,23)14-6-2-1-4-12(14)18-25-15(11-7-8-11)10-16(26-18)27-19-13-5-3-9-24-17(13)28-29-19;1-10-8-16(26-18-13-9-11(20)6-7-15(13)27-28-18)25-17(24-10)12-4-2-3-5-14(12)19(21,22)23/h4-11H,1-3H3,(H2,25,26,27,28,29,30);1-8,11-12H,9-10H2,(H2,25,26,27,28,29);1-6,9-11H,7-8H2,(H2,24,25,26,27,28,29);2-9H,1H3,(H2,24,25,26,27,28)
InChIKeyZLTQRAOIYMIPLG-UHFFFAOYSA-N
XLogP21.42
TPSA291.74 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.52
LogP ≤ 521.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301

Frequently Asked Questions

What is the IUPAC name of N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 162155472) is N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is CC(C)(C)c1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2[nH]nc3ncccc23)cc(C2CC2)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC2)n1.
What is the InChIKey of N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is ZLTQRAOIYMIPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6.C21H16F3N5.C20H15F3N6.C19H13F4N5/c1-20(2,3)15-11-16(28-19-13-8-6-10-25-17(13)29-30-19)27-18(26-15)12-7-4-5-9-14(12)21(22,23)24;22-21(23,24)15-7-3-1-5-13(15)19-25-17(12-9-10-12)11-18(26-19)27-20-14-6-2-4-8-16(14)28-29-20;21-20(22,23)14-6-2-1-4-12(14)18-25-15(11-7-8-11)10-16(26-18)27-19-13-5-3-9-24-17(13)28-29-19;1-10-8-16(26-18-13-9-11(20)6-7-15(13)27-28-18)25-17(24-10)12-4-2-3-5-14(12)19(21,22)23/h4-11H,1-3H3,(H2,25,26,27,28,29,30);1-8,11-12H,9-10H2,(H2,25,26,27,28,29);1-6,9-11H,7-8H2,(H2,24,25,26,27,28,29);2-9H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 1591.52 g/mol, XLogP of 21.42, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-cyclopropyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 162155472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).