N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide

C33H32F5N7O3 — CID 147751234

About N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide

N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 147751234) has the molecular formula C33H32F5N7O3 and a molecular weight of 669.66 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 147751234
• Molecular Formula: C33H32F5N7O3
• Molecular Weight: 669.66 g/mol
• Exact Mass: 669.25
• IUPAC Name: N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide
• SMILES: O=C(CNc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCCC(c3cccc(F)c3)C2)nc1C(F)(F)F
• InChI: InChI=1S/C33H32F5N7O3/c34-23-7-3-5-21(17-23)22-6-4-12-45(20-22)32-42-30(33(36,37)38)29(48-32)27(46)19-39-24-10-11-28(40-18-24)43-13-15-44(16-14-43)31(47)41-26-9-2-1-8-25(26)35/h1-3,5,7-11,17-18,22,39H,4,6,12-16,19-20H2,(H,41,47)
• InChIKey: HCFSIATZUMUPMT-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.66
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide (CID 147751234) is N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide is O=C(CNc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCCC(c3cccc(F)c3)C2)nc1C(F)(F)F.

What is the InChIKey of N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide?

The InChIKey is HCFSIATZUMUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F5N7O3/c34-23-7-3-5-21(17-23)22-6-4-12-45(20-22)32-42-30(33(36,37)38)29(48-32)27(46)19-39-24-10-11-28(40-18-24)43-13-15-44(16-14-43)31(47)41-26-9-2-1-8-25(26)35/h1-3,5,7-11,17-18,22,39H,4,6,12-16,19-20H2,(H,41,47).

What are the key properties of N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide?

N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 669.66 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-4-[5-[[2-[2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]amino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 147751234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).