4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide

C63H76ClF6N7O5 — CID 143662152

IUPAC4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1c(Cc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2C2CC3CNC(C)C(C4CCCCCC4)C3N(C)C2=O)cc(NC(=O)c2cc(OC3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C1CC2CNC(C)CC2N(C)C1=O
InChIInChI=1S/C63H76ClF6N7O5/c1-34-21-55-42(32-71-34)26-51(60(80)76(55)5)49-31-46(74-59(79)41-23-44(62(65,66)67)29-48(25-41)82-47-17-19-75(4)20-18-47)24-40(35(49)2)22-38-13-15-45(73-58(78)39-14-16-54(64)53(28-39)63(68,69)70)30-50(38)52-27-43-33-72-36(3)56(57(43)77(6)61(52)81)37-11-9-7-8-10-12-37/h13-16,23-25,28-31,34,36-37,42-43,47,51-52,55-57,71-72H,7-12,17-22,26-27,32-33H2,1-6H3,(H,73,78)(H,74,79)
InChIKeyHOTSAFJZPWRZTR-UHFFFAOYSA-N
MW1160.79 g/mol
LogP12.08
Rot. Bonds11

About 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 143662152) has the molecular formula C63H76ClF6N7O5 and a molecular weight of 1160.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID143662152
Molecular FormulaC63H76ClF6N7O5
Molecular Weight1160.79 g/mol
Exact Mass1159.55
IUPAC Name4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1c(Cc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2C2CC3CNC(C)C(C4CCCCCC4)C3N(C)C2=O)cc(NC(=O)c2cc(OC3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C1CC2CNC(C)CC2N(C)C1=O
InChIInChI=1S/C63H76ClF6N7O5/c1-34-21-55-42(32-71-34)26-51(60(80)76(55)5)49-31-46(74-59(79)41-23-44(62(65,66)67)29-48(25-41)82-47-17-19-75(4)20-18-47)24-40(35(49)2)22-38-13-15-45(73-58(78)39-14-16-54(64)53(28-39)63(68,69)70)30-50(38)52-27-43-33-72-36(3)56(57(43)77(6)61(52)81)37-11-9-7-8-10-12-37/h13-16,23-25,28-31,34,36-37,42-43,47,51-52,55-57,71-72H,7-12,17-22,26-27,32-33H2,1-6H3,(H,73,78)(H,74,79)
InChIKeyHOTSAFJZPWRZTR-UHFFFAOYSA-N
XLogP12.08
TPSA135.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.79
LogP ≤ 512.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 159205349
[4-[(4-Chloro-2-methylbenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium;[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium;[4-[(3-methoxybenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 162055648

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide (CID 143662152) is 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1c(Cc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2C2CC3CNC(C)C(C4CCCCCC4)C3N(C)C2=O)cc(NC(=O)c2cc(OC3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C1CC2CNC(C)CC2N(C)C1=O.
What is the InChIKey of 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HOTSAFJZPWRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H76ClF6N7O5/c1-34-21-55-42(32-71-34)26-51(60(80)76(55)5)49-31-46(74-59(79)41-23-44(62(65,66)67)29-48(25-41)82-47-17-19-75(4)20-18-47)24-40(35(49)2)22-38-13-15-45(73-58(78)39-14-16-54(64)53(28-39)63(68,69)70)30-50(38)52-27-43-33-72-36(3)56(57(43)77(6)61(52)81)37-11-9-7-8-10-12-37/h13-16,23-25,28-31,34,36-37,42-43,47,51-52,55-57,71-72H,7-12,17-22,26-27,32-33H2,1-6H3,(H,73,78)(H,74,79).
What are the key properties of 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1160.79 g/mol, XLogP of 12.08, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(8-cycloheptyl-1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-4-[[3-(1,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-3-yl)-2-methyl-5-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143662152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).