N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C24H25ClF3N7O2 — CID 67391714

About N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67391714) has the molecular formula C24H25ClF3N7O2 and a molecular weight of 535.96 g/mol. Its IUPAC name is N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 67391714
• Molecular Formula: C24H25ClF3N7O2
• Molecular Weight: 535.96 g/mol
• Exact Mass: 535.17
• IUPAC Name: N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C24H25ClF3N7O2/c25-17-5-4-8-29-21(17)34-13-11-33(12-14-34)18-7-6-16(15-30-18)31-22(36)19-20(24(26,27)28)32-23(37-19)35-9-2-1-3-10-35/h4-8,15H,1-3,9-14H2,(H,31,36)
• InChIKey: XVKYSWFMXPNTHN-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 90.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.96
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67391714) is N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is XVKYSWFMXPNTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N7O2/c25-17-5-4-8-29-21(17)34-13-11-33(12-14-34)18-7-6-16(15-30-18)31-22(36)19-20(24(26,27)28)32-23(37-19)35-9-2-1-3-10-35/h4-8,15H,1-3,9-14H2,(H,31,36).

What are the key properties of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 535.96 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67391714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).