[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C68H62F13N15O6 — CID 123746299

IUPAC[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCc1cc(F)cc(-n2nccn2)c1C(=O)N1CCC(c2cnn(-c3c(F)ccc(C)c3C(=O)N3CCCC(Cc4cnn(-c5cc(F)c(F)cc5C(=O)N5CCCC(C)C5COc5ccc(C(F)(F)F)cn5)n4)C3COc3ccc(C(F)(F)F)cn3)n2)C(C)C1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C68H62F13N15O6/c1-36-7-5-20-91(54(36)33-100-57-14-10-41(28-82-57)66(73,74)75)63(97)47-26-49(71)50(72)27-52(47)95-87-31-45(89-95)24-40-8-6-21-92(56(40)35-102-59-16-12-43(30-84-59)68(79,80)81)65(99)61-37(2)9-13-48(70)62(61)96-88-32-51(90-96)46-17-22-93(55(39(46)4)34-101-58-15-11-42(29-83-58)67(76,77)78)64(98)60-38(3)23-44(69)25-53(60)94-85-18-19-86-94/h9-16,18-19,23,25-32,36,39-40,46,54-56H,5-8,17,20-22,24,33-35H2,1-4H3
InChIKeyAMHGWVQTOJPUNU-UHFFFAOYSA-N
MW1432.32 g/mol
LogP12.42
Rot. Bonds18

About [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 123746299) has the molecular formula C68H62F13N15O6 and a molecular weight of 1432.32 g/mol. Its IUPAC name is [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID123746299
Molecular FormulaC68H62F13N15O6
Molecular Weight1432.32 g/mol
Exact Mass1431.48
IUPAC Name[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCc1cc(F)cc(-n2nccn2)c1C(=O)N1CCC(c2cnn(-c3c(F)ccc(C)c3C(=O)N3CCCC(Cc4cnn(-c5cc(F)c(F)cc5C(=O)N5CCCC(C)C5COc5ccc(C(F)(F)F)cn5)n4)C3COc3ccc(C(F)(F)F)cn3)n2)C(C)C1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C68H62F13N15O6/c1-36-7-5-20-91(54(36)33-100-57-14-10-41(28-82-57)66(73,74)75)63(97)47-26-49(71)50(72)27-52(47)95-87-31-45(89-95)24-40-8-6-21-92(56(40)35-102-59-16-12-43(30-84-59)68(79,80)81)65(99)61-37(2)9-13-48(70)62(61)96-88-32-51(90-96)46-17-22-93(55(39(46)4)34-101-58-15-11-42(29-83-58)67(76,77)78)64(98)60-38(3)23-44(69)25-53(60)94-85-18-19-86-94/h9-16,18-19,23,25-32,36,39-40,46,54-56H,5-8,17,20-22,24,33-35H2,1-4H3
InChIKeyAMHGWVQTOJPUNU-UHFFFAOYSA-N
XLogP12.42
TPSA219.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.32
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 90411503
(+/-)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(2-(((5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90412395
(R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442519
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411634
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 90411740
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90411792
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411906
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-[(6-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412528
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
CID 90412859
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 90413888
(R/S)-(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442524
US9611277, Example 249
CID 117631521

Frequently Asked Questions

What is the IUPAC name of [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 123746299) is [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is Cc1cc(F)cc(-n2nccn2)c1C(=O)N1CCC(c2cnn(-c3c(F)ccc(C)c3C(=O)N3CCCC(Cc4cnn(-c5cc(F)c(F)cc5C(=O)N5CCCC(C)C5COc5ccc(C(F)(F)F)cn5)n4)C3COc3ccc(C(F)(F)F)cn3)n2)C(C)C1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is AMHGWVQTOJPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62F13N15O6/c1-36-7-5-20-91(54(36)33-100-57-14-10-41(28-82-57)66(73,74)75)63(97)47-26-49(71)50(72)27-52(47)95-87-31-45(89-95)24-40-8-6-21-92(56(40)35-102-59-16-12-43(30-84-59)68(79,80)81)65(99)61-37(2)9-13-48(70)62(61)96-88-32-51(90-96)46-17-22-93(55(39(46)4)34-101-58-15-11-42(29-83-58)67(76,77)78)64(98)60-38(3)23-44(69)25-53(60)94-85-18-19-86-94/h9-16,18-19,23,25-32,36,39-40,46,54-56H,5-8,17,20-22,24,33-35H2,1-4H3.
What are the key properties of [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
[4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 1432.32 g/mol, XLogP of 12.42, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123746299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).