N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide

C103H96F12N24O5S — CID 159067586

IUPACN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide
SMILESCC(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CS(=O)(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.O=C(NCCc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1)OCc1ccccc1
InChIInChI=1S/C28H23F3N6O2.C26H25F3N6O.C25H25F3N6O2S.C24H23F3N6/c29-28(30,31)22-12-6-4-10-20(22)25-33-19(14-15-32-27(38)39-17-18-8-2-1-3-9-18)16-24(34-25)35-26-21-11-5-7-13-23(21)36-37-26;1-15(36)30-20-12-6-3-9-17(20)22-14-23(33-25-18-10-4-7-13-21(18)34-35-25)32-24(31-22)16-8-2-5-11-19(16)26(27,28)29;1-37(35,36)34-20-13-7-3-9-16(20)21-14-22(31-24-17-10-4-6-12-19(17)32-33-24)30-23(29-21)15-8-2-5-11-18(15)25(26,27)28;25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23/h1-13,16H,14-15,17H2,(H,32,38)(H2,33,34,35,36,37);2,4-5,7-8,10-11,13-14,17,20H,3,6,9,12H2,1H3,(H,30,36)(H2,31,32,33,34,35);2,4-6,8,10-12,14,16,20,34H,3,7,9,13H2,1H3,(H2,29,30,31,32,33);1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33)
InChIKeyJZGHCPDBNKHTPY-UHFFFAOYSA-N
MW2010.11 g/mol
LogP23.32
Rot. Bonds23

About N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide

N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide (PubChem CID 159067586) has the molecular formula C103H96F12N24O5S and a molecular weight of 2010.11 g/mol. Its IUPAC name is N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide
PubChem CID159067586
Molecular FormulaC103H96F12N24O5S
Molecular Weight2010.11 g/mol
Exact Mass2008.75
IUPAC NameN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide
SMILESCC(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CS(=O)(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.O=C(NCCc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1)OCc1ccccc1
InChIInChI=1S/C28H23F3N6O2.C26H25F3N6O.C25H25F3N6O2S.C24H23F3N6/c29-28(30,31)22-12-6-4-10-20(22)25-33-19(14-15-32-27(38)39-17-18-8-2-1-3-9-18)16-24(34-25)35-26-21-11-5-7-13-23(21)36-37-26;1-15(36)30-20-12-6-3-9-17(20)22-14-23(33-25-18-10-4-7-13-21(18)34-35-25)32-24(31-22)16-8-2-5-11-19(16)26(27,28)29;1-37(35,36)34-20-13-7-3-9-16(20)21-14-22(31-24-17-10-4-6-12-19(17)32-33-24)30-23(29-21)15-8-2-5-11-18(15)25(26,27)28;25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23/h1-13,16H,14-15,17H2,(H,32,38)(H2,33,34,35,36,37);2,4-5,7-8,10-11,13-14,17,20H,3,6,9,12H2,1H3,(H,30,36)(H2,31,32,33,34,35);2,4-6,8,10-12,14,16,20,34H,3,7,9,13H2,1H3,(H2,29,30,31,32,33);1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33)
InChIKeyJZGHCPDBNKHTPY-UHFFFAOYSA-N
XLogP23.32
TPSA405.58 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.11
LogP ≤ 523.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide with MolForge

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Related Compounds

benzyl 4-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
CID 20626354
dibenzyl 2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1,4-dicarboxylate
CID 58754698
benzyl 4-[2-(2-chlorophenyl)-6-(1H-indazol-3-ylamino)-5-methylpyrimidin-4-yl]piperazine-1-carboxylate;N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;1-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158258132
benzyl 3-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-methylpiperazine-1-carboxylate;1-[3-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[6-(1-methylpiperazin-2-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-piperazin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158263370
benzyl 2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;N-[6-(1-methylsulfonylpiperidin-2-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 161025460
N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide;N-[6-(4-methylperoxysulfanylpiperazin-1-yl)-2-(2-methylphenyl)pyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 161489363
5-[4-(2-aminocyclohexyl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[5-benzyl-4-(1H-indazol-3-ylamino)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;benzyl 3-[6-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]-4-methylpiperazine-1-carboxylate;5-[4-(1H-indazol-3-ylamino)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 161521372
benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine
CID 161638933

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide (CID 159067586) is N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide is CC(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CS(=O)(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.O=C(NCCc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1)OCc1ccccc1.
What is the InChIKey of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide?
The InChIKey is JZGHCPDBNKHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N6O2.C26H25F3N6O.C25H25F3N6O2S.C24H23F3N6/c29-28(30,31)22-12-6-4-10-20(22)25-33-19(14-15-32-27(38)39-17-18-8-2-1-3-9-18)16-24(34-25)35-26-21-11-5-7-13-23(21)36-37-26;1-15(36)30-20-12-6-3-9-17(20)22-14-23(33-25-18-10-4-7-13-21(18)34-35-25)32-24(31-22)16-8-2-5-11-19(16)26(27,28)29;1-37(35,36)34-20-13-7-3-9-16(20)21-14-22(31-24-17-10-4-6-12-19(17)32-33-24)30-23(29-21)15-8-2-5-11-18(15)25(26,27)28;25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23/h1-13,16H,14-15,17H2,(H,32,38)(H2,33,34,35,36,37);2,4-5,7-8,10-11,13-14,17,20H,3,6,9,12H2,1H3,(H,30,36)(H2,31,32,33,34,35);2,4-6,8,10-12,14,16,20,34H,3,7,9,13H2,1H3,(H2,29,30,31,32,33);1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33).
What are the key properties of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide?
N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide has a molecular weight of 2010.11 g/mol, XLogP of 23.32, 23 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]acetamide;N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 159067586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).