N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide

C25H24F4N6O3 — CID 44570222

About N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide

N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide (PubChem CID 44570222) has the molecular formula C25H24F4N6O3 and a molecular weight of 532.50 g/mol. Its IUPAC name is N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide
• PubChem CID: 44570222
• Molecular Formula: C25H24F4N6O3
• Molecular Weight: 532.50 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide
• SMILES: CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C25H24F4N6O3/c1-2-34(23(37)16-3-8-20-15(11-16)9-10-31-20)14-24(38,25(27,28)29)13-32-22(36)19-12-33-35(21(19)30)18-6-4-17(26)5-7-18/h3-12,31,38H,2,13-14,30H2,1H3,(H,32,36)
• InChIKey: GXUFCPYTJFQMEF-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 129.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide?

The IUPAC name of N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide (CID 44570222) is N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide.

What is the SMILES notation for N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide?

The canonical SMILES for N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide is CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1.

What is the InChIKey of N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide?

The InChIKey is GXUFCPYTJFQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O3/c1-2-34(23(37)16-3-8-20-15(11-16)9-10-31-20)14-24(38,25(27,28)29)13-32-22(36)19-12-33-35(21(19)30)18-6-4-17(26)5-7-18/h3-12,31,38H,2,13-14,30H2,1H3,(H,32,36).

What are the key properties of N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide?

N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide has a molecular weight of 532.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 44570222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).