5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

C90H64F18N26 — CID 160557200

IUPAC5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(N2CCNCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc(N4CCNCC4)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1
InChIInChI=1S/2C23H13F5N6.C22H18F5N7.C22H20F3N7/c2*24-13-9-15-20(17(25)10-13)33-34-21(15)32-22-30-18(12-5-7-29-8-6-12)11-19(31-22)14-3-1-2-4-16(14)23(26,27)28;23-12-9-14-19(16(24)10-12)32-33-20(14)31-21-29-17(11-18(30-21)34-7-5-28-6-8-34)13-3-1-2-4-15(13)22(25,26)27;23-22(24,25)16-7-3-1-5-14(16)18-13-19(32-11-9-26-10-12-32)28-21(27-18)29-20-15-6-2-4-8-17(15)30-31-20/h2*1-11H,(H2,30,31,32,33,34);1-4,9-11,28H,5-8H2,(H2,29,30,31,32,33);1-8,13,26H,9-12H2,(H2,27,28,29,30,31)
InChIKeyQYVNAOQWFKJCTO-UHFFFAOYSA-N
MW1851.65 g/mol
LogP20.91
Rot. Bonds16

About 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine

5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 160557200) has the molecular formula C90H64F18N26 and a molecular weight of 1851.65 g/mol. Its IUPAC name is 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID160557200
Molecular FormulaC90H64F18N26
Molecular Weight1851.65 g/mol
Exact Mass1850.55
IUPAC Name5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(N2CCNCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc(N4CCNCC4)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1
InChIInChI=1S/2C23H13F5N6.C22H18F5N7.C22H20F3N7/c2*24-13-9-15-20(17(25)10-13)33-34-21(15)32-22-30-18(12-5-7-29-8-6-12)11-19(31-22)14-3-1-2-4-16(14)23(26,27)28;23-12-9-14-19(16(24)10-12)32-33-20(14)31-21-29-17(11-18(30-21)34-7-5-28-6-8-34)13-3-1-2-4-15(13)22(25,26)27;23-22(24,25)16-7-3-1-5-14(16)18-13-19(32-11-9-26-10-12-32)28-21(27-18)29-20-15-6-2-4-8-17(15)30-31-20/h2*1-11H,(H2,30,31,32,33,34);1-4,9-11,28H,5-8H2,(H2,29,30,31,32,33);1-8,13,26H,9-12H2,(H2,27,28,29,30,31)
InChIKeyQYVNAOQWFKJCTO-UHFFFAOYSA-N
XLogP20.91
TPSA322.28 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.65
LogP ≤ 520.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-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
3-(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-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
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
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
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)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine (CID 160557200) is 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1cc(N2CCNCC2)nc(Nc2n[nH]c3ccccc23)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc(N4CCNCC4)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccncc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.
What is the InChIKey of 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is QYVNAOQWFKJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H13F5N6.C22H18F5N7.C22H20F3N7/c2*24-13-9-15-20(17(25)10-13)33-34-21(15)32-22-30-18(12-5-7-29-8-6-12)11-19(31-22)14-3-1-2-4-16(14)23(26,27)28;23-12-9-14-19(16(24)10-12)32-33-20(14)31-21-29-17(11-18(30-21)34-7-5-28-6-8-34)13-3-1-2-4-15(13)22(25,26)27;23-22(24,25)16-7-3-1-5-14(16)18-13-19(32-11-9-26-10-12-32)28-21(27-18)29-20-15-6-2-4-8-17(15)30-31-20/h2*1-11H,(H2,30,31,32,33,34);1-4,9-11,28H,5-8H2,(H2,29,30,31,32,33);1-8,13,26H,9-12H2,(H2,27,28,29,30,31).
What are the key properties of 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine?
5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 1851.65 g/mol, XLogP of 20.91, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine;bis(5,7-difluoro-N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine);N-[4-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 160557200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).