N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H13Cl2F4N5O2 — CID 166545418

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 166545418) has the molecular formula C22H13Cl2F4N5O2 and a molecular weight of 526.28 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 166545418
• Molecular Formula: C22H13Cl2F4N5O2
• Molecular Weight: 526.28 g/mol
• Exact Mass: 525.04
• IUPAC Name: N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Nc1nccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4Cl)c3C(F)(F)F)cc2F)c1Cl
• InChI: InChI=1S/C22H13Cl2F4N5O2/c23-13-3-1-2-4-15(13)33-19(22(26,27)28)12(10-31-33)21(34)32-11-5-6-16(14(25)9-11)35-17-7-8-30-20(29)18(17)24/h1-10H,(H2,29,30)(H,32,34)
• InChIKey: RDMMNCXLLJNDCB-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.28
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 166545418) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4Cl)c3C(F)(F)F)cc2F)c1Cl.

What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is RDMMNCXLLJNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F4N5O2/c23-13-3-1-2-4-15(13)33-19(22(26,27)28)12(10-31-33)21(34)32-11-5-6-16(14(25)9-11)35-17-7-8-30-20(29)18(17)24/h1-10H,(H2,29,30)(H,32,34).

What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 526.28 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166545418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).