3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide

C30H21ClF6N8O3 — CID 58057073

About 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide

3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide (PubChem CID 58057073) has the molecular formula C30H21ClF6N8O3 and a molecular weight of 690.99 g/mol. Its IUPAC name is 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
• PubChem CID: 58057073
• Molecular Formula: C30H21ClF6N8O3
• Molecular Weight: 690.99 g/mol
• Exact Mass: 690.13
• IUPAC Name: 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
• SMILES: CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)nn1-c1ncccc1Cl
• InChI: InChI=1S/C30H21ClF6N8O3/c1-15-8-16(14-38)9-20(26(46)39-2)24(15)41-27(47)22-13-23(42-45(22)25-21(31)4-3-5-40-25)44-7-6-43(28(44)48)19-11-17(29(32,33)34)10-18(12-19)30(35,36)37/h3-5,8-13H,6-7H2,1-2H3,(H,39,46)(H,41,47)
• InChIKey: LGYTXHPEZJJJSM-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 136.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.99
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide (CID 58057073) is 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide is CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)nn1-c1ncccc1Cl.

What is the InChIKey of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?

The InChIKey is LGYTXHPEZJJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClF6N8O3/c1-15-8-16(14-38)9-20(26(46)39-2)24(15)41-27(47)22-13-23(42-45(22)25-21(31)4-3-5-40-25)44-7-6-43(28(44)48)19-11-17(29(32,33)34)10-18(12-19)30(35,36)37/h3-5,8-13H,6-7H2,1-2H3,(H,39,46)(H,41,47).

What are the key properties of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?

3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 690.99 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58057073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).