N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C68H64F8N12O6 — CID 91111664

About N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 91111664) has the molecular formula C68H64F8N12O6 and a molecular weight of 1297.32 g/mol. Its IUPAC name is N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 91111664
• Molecular Formula: C68H64F8N12O6
• Molecular Weight: 1297.32 g/mol
• Exact Mass: 1296.49
• IUPAC Name: N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Cc3c(F)ccc(-c4ccc(C5CCN(c6nc(C(F)(F)F)c(C(=O)Nc7ccc(N8CCN(C(=O)C9Cc%10ccccc%10C9)CC8)nc7)o6)CC5)cc4)c3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C68H64F8N12O6/c69-53-17-16-51(57(70)52(53)38-56(89)85-32-28-83(29-33-85)54-18-14-49(39-77-54)79-62(90)58-60(67(71,72)73)81-65(93-58)87-24-20-43(21-25-87)41-6-2-1-3-7-41)45-12-10-42(11-13-45)44-22-26-88(27-23-44)66-82-61(68(74,75)76)59(94-66)63(91)80-50-15-19-55(78-40-50)84-30-34-86(35-31-84)64(92)48-36-46-8-4-5-9-47(46)37-48/h1-19,39-40,43-44,48H,20-38H2,(H,79,90)(H,80,91)
• InChIKey: HFCYZULHEMHZHA-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 189.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.32
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 91111664) is N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Cc3c(F)ccc(-c4ccc(C5CCN(c6nc(C(F)(F)F)c(C(=O)Nc7ccc(N8CCN(C(=O)C9Cc%10ccccc%10C9)CC8)nc7)o6)CC5)cc4)c3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.

What is the InChIKey of N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is HFCYZULHEMHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H64F8N12O6/c69-53-17-16-51(57(70)52(53)38-56(89)85-32-28-83(29-33-85)54-18-14-49(39-77-54)79-62(90)58-60(67(71,72)73)81-65(93-58)87-24-20-43(21-25-87)41-6-2-1-3-7-41)45-12-10-42(11-13-45)44-22-26-88(27-23-44)66-82-61(68(74,75)76)59(94-66)63(91)80-50-15-19-55(78-40-50)84-30-34-86(35-31-84)64(92)48-36-46-8-4-5-9-47(46)37-48/h1-19,39-40,43-44,48H,20-38H2,(H,79,90)(H,80,91).

What are the key properties of N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 1297.32 g/mol, XLogP of 11.66, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[2-[3-[4-[1-[5-[[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-yl]phenyl]-2,6-difluorophenyl]acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91111664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).