N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C62H72F6N14O6 — CID 90757598

About N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 90757598) has the molecular formula C62H72F6N14O6 and a molecular weight of 1223.34 g/mol. Its IUPAC name is N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 90757598
• Molecular Formula: C62H72F6N14O6
• Molecular Weight: 1223.34 g/mol
• Exact Mass: 1222.57
• IUPAC Name: N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C5CCC(c6ccc(C7CCN(c8nc(C(F)(F)F)c(C(=O)Nc9ccc(N%10CCN(C(N)C%11Cc%12ccccc%12N%11)CC%10)nc9)o8)CC7)cc6)CC5)CC4)nc3)o2)C1
• InChI: InChI=1S/C62H72F6N14O6/c1-37-5-4-22-82(36-37)60-76-54(62(66,67)68)52(88-60)57(85)73-45-17-19-49(71-35-45)78-27-31-80(32-28-78)58(86)50(83)42-14-12-39(13-15-42)38-8-10-40(11-9-38)41-20-23-81(24-21-41)59-75-53(61(63,64)65)51(87-59)56(84)72-44-16-18-48(70-34-44)77-25-29-79(30-26-77)55(69)47-33-43-6-2-3-7-46(43)74-47/h2-3,6-11,16-19,34-35,37,39,41-42,47,50,55,74,83H,4-5,12-15,20-33,36,69H2,1H3,(H,72,84)(H,73,85)
• InChIKey: YPRLVPRFOVKUHP-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 230.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.34
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 90757598) is N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C5CCC(c6ccc(C7CCN(c8nc(C(F)(F)F)c(C(=O)Nc9ccc(N%10CCN(C(N)C%11Cc%12ccccc%12N%11)CC%10)nc9)o8)CC7)cc6)CC5)CC4)nc3)o2)C1.

What is the InChIKey of N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is YPRLVPRFOVKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H72F6N14O6/c1-37-5-4-22-82(36-37)60-76-54(62(66,67)68)52(88-60)57(85)73-45-17-19-49(71-35-45)78-27-31-80(32-28-78)58(86)50(83)42-14-12-39(13-15-42)38-8-10-40(11-9-38)41-20-23-81(24-21-41)59-75-53(61(63,64)65)51(87-59)56(84)72-44-16-18-48(70-34-44)77-25-29-79(30-26-77)55(69)47-33-43-6-2-3-7-46(43)74-47/h2-3,6-11,16-19,34-35,37,39,41-42,47,50,55,74,83H,4-5,12-15,20-33,36,69H2,1H3,(H,72,84)(H,73,85).

What are the key properties of N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 1223.34 g/mol, XLogP of 9.04, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[amino(2,3-dihydro-1H-indol-2-yl)methyl]piperazin-1-yl]-3-pyridinyl]-2-[4-[4-[4-[1-hydroxy-2-[4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclohexyl]phenyl]piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90757598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).