N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C24H23F3N10O3 — CID 175973091

About N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 175973091) has the molecular formula C24H23F3N10O3 and a molecular weight of 556.51 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 175973091
• Molecular Formula: C24H23F3N10O3
• Molecular Weight: 556.51 g/mol
• Exact Mass: 556.19
• IUPAC Name: N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: NC(=O)c1nn(-c2ccc(N3CCNCC3)nc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1
• InChI: InChI=1S/C24H23F3N10O3/c25-24(26,27)13-32-18-9-14(3-4-30-18)23-34-17(12-40-23)22(39)33-16-11-37(35-20(16)21(28)38)15-1-2-19(31-10-15)36-7-5-29-6-8-36/h1-4,9-12,29H,5-8,13H2,(H2,28,38)(H,30,32)(H,33,39)
• InChIKey: YZFHZRYDOVWKPJ-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 169.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 175973091) is N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is NC(=O)c1nn(-c2ccc(N3CCNCC3)nc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.

What is the InChIKey of N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is YZFHZRYDOVWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N10O3/c25-24(26,27)13-32-18-9-14(3-4-30-18)23-34-17(12-40-23)22(39)33-16-11-37(35-20(16)21(28)38)15-1-2-19(31-10-15)36-7-5-29-6-8-36/h1-4,9-12,29H,5-8,13H2,(H2,28,38)(H,30,32)(H,33,39).

What are the key properties of N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 556.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-(6-piperazin-1-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175973091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).