4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine

C66H75F3N10 — CID 123268810

IUPAC4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2c2cccc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)C(c4cccc(Cc5cn[nH]c5C5CCN(CC6CCCCC6)CC5)c4)C3)c2)cc1
InChIInChI=1S/C66H75F3N10/c67-66(68,69)60-19-17-48(18-20-60)44-78-31-25-55(64-57(40-72-75-64)33-46-9-3-1-4-10-46)38-61(78)53-15-8-14-51(35-53)37-59-42-73-76-65(59)56-26-32-79(45-49-21-27-70-28-22-49)62(39-56)54-16-7-13-50(34-54)36-58-41-71-74-63(58)52-23-29-77(30-24-52)43-47-11-5-2-6-12-47/h1,3-4,7-10,13-22,27-28,34-35,40-42,47,52,55-56,61-62H,2,5-6,11-12,23-26,29-33,36-39,43-45H2,(H,71,74)(H,72,75)(H,73,76)
InChIKeyDLNRATZSAWAKGO-UHFFFAOYSA-N
MW1065.39 g/mol
LogP14.04
Rot. Bonds17

About 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine

4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine (PubChem CID 123268810) has the molecular formula C66H75F3N10 and a molecular weight of 1065.39 g/mol. Its IUPAC name is 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine
PubChem CID123268810
Molecular FormulaC66H75F3N10
Molecular Weight1065.39 g/mol
Exact Mass1064.61
IUPAC Name4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2c2cccc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)C(c4cccc(Cc5cn[nH]c5C5CCN(CC6CCCCC6)CC5)c4)C3)c2)cc1
InChIInChI=1S/C66H75F3N10/c67-66(68,69)60-19-17-48(18-20-60)44-78-31-25-55(64-57(40-72-75-64)33-46-9-3-1-4-10-46)38-61(78)53-15-8-14-51(35-53)37-59-42-73-76-65(59)56-26-32-79(45-49-21-27-70-28-22-49)62(39-56)54-16-7-13-50(34-54)36-58-41-71-74-63(58)52-23-29-77(30-24-52)43-47-11-5-2-6-12-47/h1,3-4,7-10,13-22,27-28,34-35,40-42,47,52,55-56,61-62H,2,5-6,11-12,23-26,29-33,36-39,43-45H2,(H,71,74)(H,72,75)(H,73,76)
InChIKeyDLNRATZSAWAKGO-UHFFFAOYSA-N
XLogP14.04
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.39
LogP ≤ 514.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

iridium(3+);2-(1H-pyrazol-5-yl)pyridine;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;bis(2-(3,4,5-trifluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine)
CID 162405828
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 18629289
5-Pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine
CID 87236445
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034108
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034276
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039140
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137040007
5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137088588
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137088698
5-[2-[3,5-bis[2-[6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin-3-yl]phenyl]phenyl]phenyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
CID 137150157
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137280362
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137280614

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine (CID 123268810) is 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1ccc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2c2cccc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)C(c4cccc(Cc5cn[nH]c5C5CCN(CC6CCCCC6)CC5)c4)C3)c2)cc1.
What is the InChIKey of 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is DLNRATZSAWAKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H75F3N10/c67-66(68,69)60-19-17-48(18-20-60)44-78-31-25-55(64-57(40-72-75-64)33-46-9-3-1-4-10-46)38-61(78)53-15-8-14-51(35-53)37-59-42-73-76-65(59)56-26-32-79(45-49-21-27-70-28-22-49)62(39-56)54-16-7-13-50(34-54)36-58-41-71-74-63(58)52-23-29-77(30-24-52)43-47-11-5-2-6-12-47/h1,3-4,7-10,13-22,27-28,34-35,40-42,47,52,55-56,61-62H,2,5-6,11-12,23-26,29-33,36-39,43-45H2,(H,71,74)(H,72,75)(H,73,76).
What are the key properties of 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine?
4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 1065.39 g/mol, XLogP of 14.04, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-(cyclohexylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 123268810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).