N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C23H20Cl2F3N5O3 — CID 59549409

About N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59549409) has the molecular formula C23H20Cl2F3N5O3 and a molecular weight of 542.35 g/mol. Its IUPAC name is N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 59549409
• Molecular Formula: C23H20Cl2F3N5O3
• Molecular Weight: 542.35 g/mol
• Exact Mass: 541.09
• IUPAC Name: N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: CC(C)NC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)c(Cl)cc2c1C(O)CC2
• InChI: InChI=1S/C23H20Cl2F3N5O3/c1-10(2)30-22(36)18-17-11(5-6-15(17)34)8-13(25)19(18)31-21(35)14-9-16(23(26,27)28)32-33(14)20-12(24)4-3-7-29-20/h3-4,7-10,15,34H,5-6H2,1-2H3,(H,30,36)(H,31,35)
• InChIKey: NUBZLAURFYLBLY-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 109.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.35
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59549409) is N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(C)NC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)c(Cl)cc2c1C(O)CC2.

What is the InChIKey of N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is NUBZLAURFYLBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3N5O3/c1-10(2)30-22(36)18-17-11(5-6-15(17)34)8-13(25)19(18)31-21(35)14-9-16(23(26,27)28)32-33(14)20-12(24)4-3-7-29-20/h3-4,7-10,15,34H,5-6H2,1-2H3,(H,30,36)(H,31,35).

What are the key properties of N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 542.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-3-hydroxy-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59549409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).