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

C100H92F12N28O3 — CID 158263370

IUPACbenzyl 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
SMILESCC(=O)N1CCNC(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)n2)C1.CN1CCN(C(=O)OCc2ccccc2)CC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCNCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CNCCN2)n1
InChIInChI=1S/C31H28F3N7O2.C24H22F3N7O.C23H22F3N7.C22H20F3N7/c1-40-15-16-41(30(42)43-19-20-9-3-2-4-10-20)18-26(40)25-17-27(37-29-22-12-6-8-14-24(22)38-39-29)36-28(35-25)21-11-5-7-13-23(21)31(32,33)34;1-14(35)34-11-10-28-20(13-34)19-12-21(31-23-16-7-3-5-9-18(16)32-33-23)30-22(29-19)15-6-2-4-8-17(15)24(25,26)27;1-33-11-10-27-13-19(33)18-12-20(30-22-15-7-3-5-9-17(15)31-32-22)29-21(28-18)14-6-2-4-8-16(14)23(24,25)26;23-22(24,25)15-7-3-1-5-13(15)20-28-17(18-12-26-9-10-27-18)11-19(29-20)30-21-14-6-2-4-8-16(14)31-32-21/h2-14,17,26H,15-16,18-19H2,1H3,(H2,35,36,37,38,39);2-9,12,20,28H,10-11,13H2,1H3,(H2,29,30,31,32,33);2-9,12,19,27H,10-11,13H2,1H3,(H2,28,29,30,31,32);1-8,11,18,26-27H,9-10,12H2,(H2,28,29,30,31,32)
InChIKeyGIDKNLKSEULSBQ-UHFFFAOYSA-N
MW1962.00 g/mol
LogP19.06
Rot. Bonds18

About 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

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 (PubChem CID 158263370) has the molecular formula C100H92F12N28O3 and a molecular weight of 1962.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID158263370
Molecular FormulaC100H92F12N28O3
Molecular Weight1962.00 g/mol
Exact Mass1960.77
IUPAC Namebenzyl 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
SMILESCC(=O)N1CCNC(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)n2)C1.CN1CCN(C(=O)OCc2ccccc2)CC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCNCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CNCCN2)n1
InChIInChI=1S/C31H28F3N7O2.C24H22F3N7O.C23H22F3N7.C22H20F3N7/c1-40-15-16-41(30(42)43-19-20-9-3-2-4-10-20)18-26(40)25-17-27(37-29-22-12-6-8-14-24(22)38-39-29)36-28(35-25)21-11-5-7-13-23(21)31(32,33)34;1-14(35)34-11-10-28-20(13-34)19-12-21(31-23-16-7-3-5-9-18(16)32-33-23)30-22(29-19)15-6-2-4-8-17(15)24(25,26)27;1-33-11-10-27-13-19(33)18-12-20(30-22-15-7-3-5-9-17(15)31-32-22)29-21(28-18)14-6-2-4-8-16(14)23(24,25)26;23-22(24,25)15-7-3-1-5-13(15)20-28-17(18-12-26-9-10-27-18)11-19(29-20)30-21-14-6-2-4-8-16(14)31-32-21/h2-14,17,26H,15-16,18-19H2,1H3,(H2,35,36,37,38,39);2-9,12,20,28H,10-11,13H2,1H3,(H2,29,30,31,32,33);2-9,12,19,27H,10-11,13H2,1H3,(H2,28,29,30,31,32);1-8,11,18,26-27H,9-10,12H2,(H2,28,29,30,31,32)
InChIKeyGIDKNLKSEULSBQ-UHFFFAOYSA-N
XLogP19.06
TPSA370.41 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.00
LogP ≤ 519.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

benzyl 2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
CID 20626351
benzyl 3-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-methylpiperazine-1-carboxylate
CID 20626352
benzyl 4-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-1-carboxylate
CID 20626354
benzyl N-[2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethyl]carbamate
CID 20626356
dibenzyl 2-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1,4-dicarboxylate
CID 58754698
benzyl 4-[6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 66804816
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
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
7-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 160085029
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine;6-N-(2-aminoethyl)-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;6-N-[2-(dimethylamino)ethyl]-3-N-(1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,6-diamine;N-[6-(2-piperidin-1-ylethoxy)-5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
CID 160791307
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCNC(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)n2)C1.CN1CCN(C(=O)OCc2ccccc2)CC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.CN1CCNCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CNCCN2)n1.
What is the InChIKey of 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?
The InChIKey is GIDKNLKSEULSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N7O2.C24H22F3N7O.C23H22F3N7.C22H20F3N7/c1-40-15-16-41(30(42)43-19-20-9-3-2-4-10-20)18-26(40)25-17-27(37-29-22-12-6-8-14-24(22)38-39-29)36-28(35-25)21-11-5-7-13-23(21)31(32,33)34;1-14(35)34-11-10-28-20(13-34)19-12-21(31-23-16-7-3-5-9-18(16)32-33-23)30-22(29-19)15-6-2-4-8-17(15)24(25,26)27;1-33-11-10-27-13-19(33)18-12-20(30-22-15-7-3-5-9-17(15)31-32-22)29-21(28-18)14-6-2-4-8-16(14)23(24,25)26;23-22(24,25)15-7-3-1-5-13(15)20-28-17(18-12-26-9-10-27-18)11-19(29-20)30-21-14-6-2-4-8-16(14)31-32-21/h2-14,17,26H,15-16,18-19H2,1H3,(H2,35,36,37,38,39);2-9,12,20,28H,10-11,13H2,1H3,(H2,29,30,31,32,33);2-9,12,19,27H,10-11,13H2,1H3,(H2,28,29,30,31,32);1-8,11,18,26-27H,9-10,12H2,(H2,28,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 1962.00 g/mol, XLogP of 19.06, 18 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158263370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).