N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide

C25H23F4N5O3 — CID 24958373

About N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide

N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide (PubChem CID 24958373) has the molecular formula C25H23F4N5O3 and a molecular weight of 517.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide
• PubChem CID: 24958373
• Molecular Formula: C25H23F4N5O3
• Molecular Weight: 517.48 g/mol
• Exact Mass: 517.17
• IUPAC Name: N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide
• SMILES: CNC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cc1C(=O)N(C)C
• InChI: InChI=1S/C25H23F4N5O3/c1-30-22(35)14-33-13-17(11-21(33)23(36)32(2)3)24(37,25(27,28)29)16-4-9-20-15(10-16)12-31-34(20)19-7-5-18(26)6-8-19/h4-13,37H,14H2,1-3H3,(H,30,35)
• InChIKey: KUFODXUHVRCWID-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 92.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide?

The IUPAC name of N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide (CID 24958373) is N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide.

What is the SMILES notation for N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide?

The canonical SMILES for N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide is CNC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cc1C(=O)N(C)C.

What is the InChIKey of N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide?

The InChIKey is KUFODXUHVRCWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O3/c1-30-22(35)14-33-13-17(11-21(33)23(36)32(2)3)24(37,25(27,28)29)16-4-9-20-15(10-16)12-31-34(20)19-7-5-18(26)6-8-19/h4-13,37H,14H2,1-3H3,(H,30,35).

What are the key properties of N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide?

N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide has a molecular weight of 517.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[2-(methylamino)-2-oxoethyl]-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 24958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).