5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide

C24H24F3N7O4 — CID 164518883

About 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide

5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 164518883) has the molecular formula C24H24F3N7O4 and a molecular weight of 531.50 g/mol. Its IUPAC name is 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 164518883
• Molecular Formula: C24H24F3N7O4
• Molecular Weight: 531.50 g/mol
• Exact Mass: 531.18
• IUPAC Name: 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide
• SMILES: NC(=O)c1c(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)nn(C2CCCN(C(=O)CO)C2)c1N
• InChI: InChI=1S/C24H24F3N7O4/c25-24(26,27)15-7-8-30-17(10-15)31-23(38)14-5-3-13(4-6-14)20-19(22(29)37)21(28)34(32-20)16-2-1-9-33(11-16)18(36)12-35/h3-8,10,16,35H,1-2,9,11-12,28H2,(H2,29,37)(H,30,31,38)
• InChIKey: RSPVWZNPKHVDGN-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 169.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.50
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide (CID 164518883) is 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide is NC(=O)c1c(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)nn(C2CCCN(C(=O)CO)C2)c1N.

What is the InChIKey of 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is RSPVWZNPKHVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O4/c25-24(26,27)15-7-8-30-17(10-15)31-23(38)14-5-3-13(4-6-14)20-19(22(29)37)21(28)34(32-20)16-2-1-9-33(11-16)18(36)12-35/h3-8,10,16,35H,1-2,9,11-12,28H2,(H2,29,37)(H,30,31,38).

What are the key properties of 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide?

5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 531.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[1-(2-hydroxyacetyl)piperidin-3-yl]-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164518883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).