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

C97H100F6N26O5S2 — CID 161489363

About 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

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 (PubChem CID 161489363) has the molecular formula C97H100F6N26O5S2 and a molecular weight of 1888.17 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161489363
• Molecular Formula: C97H100F6N26O5S2
• Molecular Weight: 1888.17 g/mol
• Exact Mass: 1886.77
• IUPAC Name: 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
• SMILES: CC(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.COOSN1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C)n2)CC1.CS(=O)(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(N2CCN(C)CC2)n1
• InChI: InChI=1S/C26H25F3N6O.C25H25F3N6O2S.C23H25N7O2S.C23H25N7/c1-15(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;1-16-7-3-4-8-17(16)22-24-20(25-23-18-9-5-6-10-19(18)27-28-23)15-21(26-22)29-11-13-30(14-12-29)33-32-31-2;1-16-7-3-4-8-17(16)22-24-20(15-21(26-22)30-13-11-29(2)12-14-30)25-23-18-9-5-6-10-19(18)27-28-23/h2,4-5,7-8,10-11,13-14,17,20H,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);3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28);3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)
• InChIKey: WFKATXREERQRFY-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 372.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.17
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.COOSN1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C)n2)CC1.CS(=O)(=O)NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.Cc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(N2CCN(C)CC2)n1.

What is the InChIKey of 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?

The InChIKey is WFKATXREERQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O.C25H25F3N6O2S.C23H25N7O2S.C23H25N7/c1-15(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;1-16-7-3-4-8-17(16)22-24-20(25-23-18-9-5-6-10-19(18)27-28-23)15-21(26-22)29-11-13-30(14-12-29)33-32-31-2;1-16-7-3-4-8-17(16)22-24-20(15-21(26-22)30-13-11-29(2)12-14-30)25-23-18-9-5-6-10-19(18)27-28-23/h2,4-5,7-8,10-11,13-14,17,20H,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);3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28);3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28).

What are the key properties of 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?

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 has a molecular weight of 1888.17 g/mol, XLogP of 19.46, 22 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161489363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).