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;hydrochloride

C24H24ClF3N10O3 — CID 175973090

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;hydrochloride

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;hydrochloride (PubChem CID 175973090) has the molecular formula C24H24ClF3N10O3 and a molecular weight of 592.97 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;hydrochloride.

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;hydrochloride
• PubChem CID: 175973090
• Molecular Formula: C24H24ClF3N10O3
• Molecular Weight: 592.97 g/mol
• Exact Mass: 592.17
• 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;hydrochloride
• SMILES: Cl.NC(=O)c1nn(-c2ccc(N3CCNCC3)nc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1
• InChI: InChI=1S/C24H23F3N10O3.ClH/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);1H
• InChIKey: FIZDVHNCSZSPAE-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 169.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.97
LogP ≤ 5	2.47
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;hydrochloride?

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;hydrochloride (CID 175973090) 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;hydrochloride.

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;hydrochloride?

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;hydrochloride is Cl.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;hydrochloride?

The InChIKey is FIZDVHNCSZSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N10O3.ClH/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);1H.

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;hydrochloride?

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;hydrochloride has a molecular weight of 592.97 g/mol, XLogP of 2.47, 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;hydrochloride is sourced from PubChem (CID 175973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).