N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

C95H76F16N20 — CID 158349149

IUPACN-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CCCCC2)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCCC4)n[nH]c12.Fc1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H15F4N5.C24H21F4N5.C24H22F3N5.C23H18F5N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28;25-18-12-7-10-16-20(18)32-33-23(16)31-22-15-9-3-1-2-4-13-19(15)29-21(30-22)14-8-5-6-11-17(14)24(26,27)28;25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28/h1-13H,(H2,29,30,31,32,33);5-8,10-12H,1-4,9,13H2,(H2,29,30,31,32,33);4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33)
InChIKeyGSCJJLWXMFATAJ-UHFFFAOYSA-N
MW1801.76 g/mol
LogP26.33
Rot. Bonds14

About N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 158349149) has the molecular formula C95H76F16N20 and a molecular weight of 1801.76 g/mol. Its IUPAC name is N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID158349149
Molecular FormulaC95H76F16N20
Molecular Weight1801.76 g/mol
Exact Mass1800.63
IUPAC NameN-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CCCCC2)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCCC4)n[nH]c12.Fc1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H15F4N5.C24H21F4N5.C24H22F3N5.C23H18F5N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28;25-18-12-7-10-16-20(18)32-33-23(16)31-22-15-9-3-1-2-4-13-19(15)29-21(30-22)14-8-5-6-11-17(14)24(26,27)28;25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28/h1-13H,(H2,29,30,31,32,33);5-8,10-12H,1-4,9,13H2,(H2,29,30,31,32,33);4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33)
InChIKeyGSCJJLWXMFATAJ-UHFFFAOYSA-N
XLogP26.33
TPSA265.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001801.76
LogP ≤ 526.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10114202
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10139100
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
CID 10139176
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10180634
N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10204783
N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10274354
N-[6-(2-methylcyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626492
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine
CID 21939150
N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 21939186
N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 21939199
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine
CID 21939208
N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine
CID 21939228

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 158349149) is N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CCCCC2)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCCC4)n[nH]c12.Fc1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is GSCJJLWXMFATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N5.C24H21F4N5.C24H22F3N5.C23H18F5N5/c25-18-11-5-2-8-15(18)20-13-21(31-23-16-9-3-6-12-19(16)32-33-23)30-22(29-20)14-7-1-4-10-17(14)24(26,27)28;25-18-12-7-10-16-20(18)32-33-23(16)31-22-15-9-3-1-2-4-13-19(15)29-21(30-22)14-8-5-6-11-17(14)24(26,27)28;25-24(26,27)18-12-6-4-10-16(18)22-28-20(15-8-2-1-3-9-15)14-21(29-22)30-23-17-11-5-7-13-19(17)31-32-23;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28/h1-13H,(H2,29,30,31,32,33);5-8,10-12H,1-4,9,13H2,(H2,29,30,31,32,33);4-7,10-15H,1-3,8-9H2,(H2,28,29,30,31,32);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33).
What are the key properties of N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?
N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 1801.76 g/mol, XLogP of 26.33, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 158349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).