7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

C47H57F4N9O4 — CID 176931757

About 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one

7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one (PubChem CID 176931757) has the molecular formula C47H57F4N9O4 and a molecular weight of 888.02 g/mol. Its IUPAC name is 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
• PubChem CID: 176931757
• Molecular Formula: C47H57F4N9O4
• Molecular Weight: 888.02 g/mol
• Exact Mass: 887.45
• IUPAC Name: 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
• SMILES: CNC(=O)C(CCC=O)Nc1ccc(CCN2CCN(c3ccc(-c4ccc(F)c5[nH]c(C(=O)N(C)CC(F)(F)F)cc45)cc3)CC2)cc1.O=C(CCn1cccn1)N1CCCCC1
• InChI: InChI=1S/C36H40F4N6O3.C11H17N3O/c1-41-34(48)31(4-3-21-47)42-26-9-5-24(6-10-26)15-16-45-17-19-46(20-18-45)27-11-7-25(8-12-27)28-13-14-30(37)33-29(28)22-32(43-33)35(49)44(2)23-36(38,39)40;15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h5-14,21-22,31,42-43H,3-4,15-20,23H2,1-2H3,(H,41,48);4,6,9H,1-3,5,7-8,10H2
• InChIKey: FCZGDOCMICYWSL-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 138.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.02
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?

The IUPAC name of 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one (CID 176931757) is 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one.

What is the SMILES notation for 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?

The canonical SMILES for 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is CNC(=O)C(CCC=O)Nc1ccc(CCN2CCN(c3ccc(-c4ccc(F)c5[nH]c(C(=O)N(C)CC(F)(F)F)cc45)cc3)CC2)cc1.O=C(CCn1cccn1)N1CCCCC1.

What is the InChIKey of 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?

The InChIKey is FCZGDOCMICYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F4N6O3.C11H17N3O/c1-41-34(48)31(4-3-21-47)42-26-9-5-24(6-10-26)15-16-45-17-19-46(20-18-45)27-11-7-25(8-12-27)28-13-14-30(37)33-29(28)22-32(43-33)35(49)44(2)23-36(38,39)40;15-11(13-7-2-1-3-8-13)5-10-14-9-4-6-12-14/h5-14,21-22,31,42-43H,3-4,15-20,23H2,1-2H3,(H,41,48);4,6,9H,1-3,5,7-8,10H2.

What are the key properties of 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one?

7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 888.02 g/mol, XLogP of 6.76, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-methyl-4-[4-[4-[2-[4-[[1-(methylamino)-1,5-dioxopentan-2-yl]amino]phenyl]ethyl]piperazin-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 176931757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).