2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine

C67H55F9N10O4S2 — CID 149156637

IUPAC2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
SMILESO=S(=O)(c1ccc(Cc2cc(-c3cnc(C4=CCN(S(=O)(=O)c5ccc(-c6cc(-c7cnc(C8=CCN(c9ccccn9)CC8)[nH]7)cc(C(F)(F)F)c6)c6ccccc56)CC4)[nH]3)cc(C(F)(F)F)c2)cc1)N1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C67H55F9N10O4S2/c68-65(69,70)50-7-5-6-46(34-50)57-38-78-63(81-57)44-19-26-85(27-20-44)91(87,88)53-13-11-41(12-14-53)30-42-31-48(36-51(32-42)66(71,72)73)58-39-79-64(82-58)45-21-28-86(29-22-45)92(89,90)60-16-15-54(55-8-1-2-9-56(55)60)47-33-49(37-52(35-47)67(74,75)76)59-40-80-62(83-59)43-17-24-84(25-18-43)61-10-3-4-23-77-61/h1-17,21,23,31-40,44H,18-20,22,24-30H2,(H,78,81)(H,79,82)(H,80,83)
InChIKeyRQFSBMJHZJAFFI-UHFFFAOYSA-N
MW1299.36 g/mol
LogP15.06
Rot. Bonds14

About 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine

2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine (PubChem CID 149156637) has the molecular formula C67H55F9N10O4S2 and a molecular weight of 1299.36 g/mol. Its IUPAC name is 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
PubChem CID149156637
Molecular FormulaC67H55F9N10O4S2
Molecular Weight1299.36 g/mol
Exact Mass1298.37
IUPAC Name2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
SMILESO=S(=O)(c1ccc(Cc2cc(-c3cnc(C4=CCN(S(=O)(=O)c5ccc(-c6cc(-c7cnc(C8=CCN(c9ccccn9)CC8)[nH]7)cc(C(F)(F)F)c6)c6ccccc56)CC4)[nH]3)cc(C(F)(F)F)c2)cc1)N1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C67H55F9N10O4S2/c68-65(69,70)50-7-5-6-46(34-50)57-38-78-63(81-57)44-19-26-85(27-20-44)91(87,88)53-13-11-41(12-14-53)30-42-31-48(36-51(32-42)66(71,72)73)58-39-79-64(82-58)45-21-28-86(29-22-45)92(89,90)60-16-15-54(55-8-1-2-9-56(55)60)47-33-49(37-52(35-47)67(74,75)76)59-40-80-62(83-59)43-17-24-84(25-18-43)61-10-3-4-23-77-61/h1-17,21,23,31-40,44H,18-20,22,24-30H2,(H,78,81)(H,79,82)(H,80,83)
InChIKeyRQFSBMJHZJAFFI-UHFFFAOYSA-N
XLogP15.06
TPSA176.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.36
LogP ≤ 515.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The IUPAC name of 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine (CID 149156637) is 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The canonical SMILES for 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine is O=S(=O)(c1ccc(Cc2cc(-c3cnc(C4=CCN(S(=O)(=O)c5ccc(-c6cc(-c7cnc(C8=CCN(c9ccccn9)CC8)[nH]7)cc(C(F)(F)F)c6)c6ccccc56)CC4)[nH]3)cc(C(F)(F)F)c2)cc1)N1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The InChIKey is RQFSBMJHZJAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55F9N10O4S2/c68-65(69,70)50-7-5-6-46(34-50)57-38-78-63(81-57)44-19-26-85(27-20-44)91(87,88)53-13-11-41(12-14-53)30-42-31-48(36-51(32-42)66(71,72)73)58-39-79-64(82-58)45-21-28-86(29-22-45)92(89,90)60-16-15-54(55-8-1-2-9-56(55)60)47-33-49(37-52(35-47)67(74,75)76)59-40-80-62(83-59)43-17-24-84(25-18-43)61-10-3-4-23-77-61/h1-17,21,23,31-40,44H,18-20,22,24-30H2,(H,78,81)(H,79,82)(H,80,83).
What are the key properties of 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine has a molecular weight of 1299.36 g/mol, XLogP of 15.06, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine is sourced from PubChem (CID 149156637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).