N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine

C125H123F12N29O8S3 — CID 158821844

About N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine

N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 158821844) has the molecular formula C125H123F12N29O8S3 and a molecular weight of 2483.73 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine
• PubChem CID: 158821844
• Molecular Formula: C125H123F12N29O8S3
• Molecular Weight: 2483.73 g/mol
• Exact Mass: 2481.91
• IUPAC Name: N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine
• SMILES: C=C(C(=O)N(C)C)C1=CCc2ccc(Nc3cc(Nc4ccccn4)c(C)cn3)cc21.CNS(=O)(=O)c1ccccc1Nc1cc(Nc2cc(-c3cccnc3)nc(C)n2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC(C)C)c(C(F)(F)F)cn1.Cc1nc(Nc2cc(Nc3ccccc3S(=O)(=O)NC(C)C)c(C(F)(F)F)cn2)cc(-c2cccnc2)n1.FC(F)(F)c1cnc(Nc2ccc3c(c2)C(C2=CCNCC2)=CC3)cc1Nc1ccccn1
• InChI: InChI=1S/C27H32F3N5O3S.C25H24F3N7O2S.C25H22F3N5.C25H25N5O.C23H20F3N7O2S/c1-18(2)34-39(36,37)25-10-6-5-9-22(25)32-23-16-26(31-17-20(23)27(28,29)30)33-21-12-11-19(15-24(21)38-3)35-13-7-4-8-14-35;1-15(2)35-38(36,37)22-9-5-4-8-19(22)33-21-12-23(30-14-18(21)25(26,27)28)34-24-11-20(31-16(3)32-24)17-7-6-10-29-13-17;26-25(27,28)21-15-31-24(14-22(21)33-23-3-1-2-10-30-23)32-18-6-4-16-5-7-19(20(16)13-18)17-8-11-29-12-9-17;1-16-15-27-24(14-22(16)29-23-7-5-6-12-26-23)28-19-10-8-18-9-11-20(21(18)13-19)17(2)25(31)30(3)4;1-14-30-18(15-6-5-9-28-12-15)10-22(31-14)33-21-11-19(16(13-29-21)23(24,25)26)32-17-7-3-4-8-20(17)36(34,35)27-2/h5-6,9-12,15-18,34H,4,7-8,13-14H2,1-3H3,(H2,31,32,33);4-15,35H,1-3H3,(H2,30,31,32,33,34);1-4,6-8,10,13-15,29H,5,9,11-12H2,(H2,30,31,32,33);5-8,10-15H,2,9H2,1,3-4H3,(H2,26,27,28,29);3-13,27H,1-2H3,(H2,29,30,31,32,33)
• InChIKey: IVYUYUIOPTWOCK-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 471.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.73
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine?

The IUPAC name of N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine (CID 158821844) is N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine.

What is the SMILES notation for N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine?

The canonical SMILES for N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine is C=C(C(=O)N(C)C)C1=CCc2ccc(Nc3cc(Nc4ccccn4)c(C)cn3)cc21.CNS(=O)(=O)c1ccccc1Nc1cc(Nc2cc(-c3cccnc3)nc(C)n2)ncc1C(F)(F)F.COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC(C)C)c(C(F)(F)F)cn1.Cc1nc(Nc2cc(Nc3ccccc3S(=O)(=O)NC(C)C)c(C(F)(F)F)cn2)cc(-c2cccnc2)n1.FC(F)(F)c1cnc(Nc2ccc3c(c2)C(C2=CCNCC2)=CC3)cc1Nc1ccccn1.

What is the InChIKey of N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine?

The InChIKey is IVYUYUIOPTWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3S.C25H24F3N7O2S.C25H22F3N5.C25H25N5O.C23H20F3N7O2S/c1-18(2)34-39(36,37)25-10-6-5-9-22(25)32-23-16-26(31-17-20(23)27(28,29)30)33-21-12-11-19(15-24(21)38-3)35-13-7-4-8-14-35;1-15(2)35-38(36,37)22-9-5-4-8-19(22)33-21-12-23(30-14-18(21)25(26,27)28)34-24-11-20(31-16(3)32-24)17-7-6-10-29-13-17;26-25(27,28)21-15-31-24(14-22(21)33-23-3-1-2-10-30-23)32-18-6-4-16-5-7-19(20(16)13-18)17-8-11-29-12-9-17;1-16-15-27-24(14-22(16)29-23-7-5-6-12-26-23)28-19-10-8-18-9-11-20(21(18)13-19)17(2)25(31)30(3)4;1-14-30-18(15-6-5-9-28-12-15)10-22(31-14)33-21-11-19(16(13-29-21)23(24,25)26)32-17-7-3-4-8-20(17)36(34,35)27-2/h5-6,9-12,15-18,34H,4,7-8,13-14H2,1-3H3,(H2,31,32,33);4-15,35H,1-3H3,(H2,30,31,32,33,34);1-4,6-8,10,13-15,29H,5,9,11-12H2,(H2,30,31,32,33);5-8,10-15H,2,9H2,1,3-4H3,(H2,26,27,28,29);3-13,27H,1-2H3,(H2,29,30,31,32,33).

What are the key properties of N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine?

N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 2483.73 g/mol, XLogP of 27.06, 35 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 158821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).