methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole

C167H286F6N30O26 — CID 163911250

About methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole

methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (PubChem CID 163911250) has the molecular formula C167H286F6N30O26 and a molecular weight of 3244.30 g/mol. Its IUPAC name is methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

• Compound Name: methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
• PubChem CID: 163911250
• Molecular Formula: C167H286F6N30O26
• Molecular Weight: 3244.30 g/mol
• Exact Mass: 3242.19
• IUPAC Name: methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCCC(=O)N1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CCCOCCOCCOCCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CCCOCCOCCOCCOCCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)CCOCCOCCOCCC(C)=O)CC3)cc2OC)ncc1C(F)(F)F.CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)CCOCCOCCOCCOCCC(C)=O)CC3)cc2OC)ncc1C(F)(F)F
• InChI: InChI=1S/C31H43F3N6O8.C30H44N6O5.C29H39F3N6O7.C29H40N6O2.C28H40N6O4.20CH4/c1-22(41)6-12-45-14-16-47-18-19-48-17-15-46-13-7-27(42)39-8-10-40(11-9-39)29(43)23-4-5-25(26(20-23)44-3)37-30-36-21-24(31(32,33)34)28(35-2)38-30;1-3-13-37-15-17-39-19-20-40-18-16-38-14-12-35-8-10-36(11-9-35)28-22-27(31-23-32-28)29-25-21-24(41-30(2)6-7-30)4-5-26(25)33-34-29;1-20(39)6-12-43-14-16-45-17-15-44-13-7-25(40)37-8-10-38(11-9-37)27(41)21-4-5-23(24(18-21)42-3)35-28-34-19-22(29(30,31)32)26(33-2)36-28;1-3-4-5-6-7-8-9-10-27(36)35-17-15-34(16-18-35)26-20-25(30-21-31-26)28-23-19-22(37-29(2)13-14-29)11-12-24(23)32-33-28;1-3-13-35-15-17-37-18-16-36-14-12-33-8-10-34(11-9-33)26-20-25(29-21-30-26)27-23-19-22(38-28(2)6-7-28)4-5-24(23)31-32-27;;;;;;;;;;;;;;;;;;;;/h4-5,20-21H,6-19H2,1-3H3,(H2,35,36,37,38);4-5,21-23H,3,6-20H2,1-2H3,(H,33,34);4-5,18-19H,6-17H2,1-3H3,(H2,33,34,35,36);11-12,19-21H,3-10,13-18H2,1-2H3,(H,32,33);4-5,19-21H,3,6-18H2,1-2H3,(H,31,32);20*1H4
• InChIKey: QSGFCVXVOVGPJJ-UHFFFAOYSA-N
• XLogP: 31.55
• TPSA: 590.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 48
• Rotatable Bonds: 82
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3244.30
LogP ≤ 5	31.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?

The IUPAC name of methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (CID 163911250) is methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.

What is the SMILES notation for methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?

The canonical SMILES for methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCCCCCCC(=O)N1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CCCOCCOCCOCCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CCCOCCOCCOCCOCCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CC1.CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)CCOCCOCCOCCC(C)=O)CC3)cc2OC)ncc1C(F)(F)F.CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)CCOCCOCCOCCOCCC(C)=O)CC3)cc2OC)ncc1C(F)(F)F.

What is the InChIKey of methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?

The InChIKey is QSGFCVXVOVGPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F3N6O8.C30H44N6O5.C29H39F3N6O7.C29H40N6O2.C28H40N6O4.20CH4/c1-22(41)6-12-45-14-16-47-18-19-48-17-15-46-13-7-27(42)39-8-10-40(11-9-39)29(43)23-4-5-25(26(20-23)44-3)37-30-36-21-24(31(32,33)34)28(35-2)38-30;1-3-13-37-15-17-39-19-20-40-18-16-38-14-12-35-8-10-36(11-9-35)28-22-27(31-23-32-28)29-25-21-24(41-30(2)6-7-30)4-5-26(25)33-34-29;1-20(39)6-12-43-14-16-45-17-15-44-13-7-25(40)37-8-10-38(11-9-37)27(41)21-4-5-23(24(18-21)42-3)35-28-34-19-22(29(30,31)32)26(33-2)36-28;1-3-4-5-6-7-8-9-10-27(36)35-17-15-34(16-18-35)26-20-25(30-21-31-26)28-23-19-22(37-29(2)13-14-29)11-12-24(23)32-33-28;1-3-13-35-15-17-37-18-16-36-14-12-33-8-10-34(11-9-33)26-20-25(29-21-30-26)27-23-19-22(38-28(2)6-7-28)4-5-24(23)31-32-27;;;;;;;;;;;;;;;;;;;;/h4-5,20-21H,6-19H2,1-3H3,(H2,35,36,37,38);4-5,21-23H,3,6-20H2,1-2H3,(H,33,34);4-5,18-19H,6-17H2,1-3H3,(H2,33,34,35,36);11-12,19-21H,3-10,13-18H2,1-2H3,(H,32,33);4-5,19-21H,3,6-18H2,1-2H3,(H,31,32);20*1H4.

What are the key properties of methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?

methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole has a molecular weight of 3244.30 g/mol, XLogP of 31.55, 82 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]butan-2-one;4-[2-[2-[2-[3-[4-[3-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]butan-2-one;1-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]decan-1-one;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole;5-(1-methylcyclopropyl)oxy-3-[6-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 163911250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).