4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide

C216H216F11N31O8 — CID 159847722

IUPAC4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)CC1.Cn1cc(-c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)cn1.O=C(NCCCc1cc[nH]c1)c1ccc(N2CCC3(CCCCC3)C2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCC(C(F)(F)F)CC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCCC2)c(C#Cc2ccc(F)cc2)c1
InChIInChI=1S/C31H34FN3O.C27H26F4N4O.2C27H29FN4O.C27H22FN3O.2C26H27FN4O.C25H22FN5O/c32-28-11-7-24(8-12-28)6-9-26-21-27(30(36)34-18-4-5-25-14-19-33-22-25)10-13-29(26)35-20-17-31(23-35)15-2-1-3-16-31;28-24-8-4-19(5-9-24)3-6-21-16-22(26(36)32-13-1-2-20-17-33-34-18-20)7-10-25(21)35-14-11-23(12-15-35)27(29,30)31;1-20-12-15-32(16-13-20)26-11-8-24(27(33)29-14-2-3-22-18-30-31-19-22)17-23(26)7-4-21-5-9-25(28)10-6-21;28-25-12-8-21(9-13-25)7-10-23-18-24(11-14-26(23)32-16-3-1-2-4-17-32)27(33)29-15-5-6-22-19-30-31-20-22;28-25-13-9-20(10-14-25)8-11-23-17-24(12-15-26(23)22-6-2-1-3-7-22)27(32)29-16-4-5-21-18-30-31-19-21;2*27-24-11-7-20(8-12-24)6-9-22-17-23(10-13-25(22)31-15-2-1-3-16-31)26(32)28-14-4-5-21-18-29-30-19-21;1-31-17-22(16-30-31)24-11-8-21(25(32)27-12-2-3-19-14-28-29-15-19)13-20(24)7-4-18-5-9-23(26)10-6-18/h7-8,10-14,19,21-22,33H,1-5,15-18,20,23H2,(H,34,36);4-5,7-10,16-18,23H,1-2,11-15H2,(H,32,36)(H,33,34);5-6,8-11,17-20H,2-3,12-16H2,1H3,(H,29,33)(H,30,31);8-9,11-14,18-20H,1-6,15-17H2,(H,29,33)(H,30,31);1-3,6-7,9-10,12-15,17-19H,4-5,16H2,(H,29,32)(H,30,31);2*7-8,10-13,17-19H,1-5,14-16H2,(H,28,32)(H,29,30);5-6,8-11,13-17H,2-3,12H2,1H3,(H,27,32)(H,28,29)
InChIKeyNPNIJLCOETVWPB-UHFFFAOYSA-N
MW3583.29 g/mol
LogP37.70
Rot. Bonds48

About 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide

4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide (PubChem CID 159847722) has the molecular formula C216H216F11N31O8 and a molecular weight of 3583.29 g/mol. Its IUPAC name is 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide
PubChem CID159847722
Molecular FormulaC216H216F11N31O8
Molecular Weight3583.29 g/mol
Exact Mass3580.73
IUPAC Name4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide
SMILESCC1CCN(c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)CC1.Cn1cc(-c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)cn1.O=C(NCCCc1cc[nH]c1)c1ccc(N2CCC3(CCCCC3)C2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCC(C(F)(F)F)CC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCCC2)c(C#Cc2ccc(F)cc2)c1
InChIInChI=1S/C31H34FN3O.C27H26F4N4O.2C27H29FN4O.C27H22FN3O.2C26H27FN4O.C25H22FN5O/c32-28-11-7-24(8-12-28)6-9-26-21-27(30(36)34-18-4-5-25-14-19-33-22-25)10-13-29(26)35-20-17-31(23-35)15-2-1-3-16-31;28-24-8-4-19(5-9-24)3-6-21-16-22(26(36)32-13-1-2-20-17-33-34-18-20)7-10-25(21)35-14-11-23(12-15-35)27(29,30)31;1-20-12-15-32(16-13-20)26-11-8-24(27(33)29-14-2-3-22-18-30-31-19-22)17-23(26)7-4-21-5-9-25(28)10-6-21;28-25-12-8-21(9-13-25)7-10-23-18-24(11-14-26(23)32-16-3-1-2-4-17-32)27(33)29-15-5-6-22-19-30-31-20-22;28-25-13-9-20(10-14-25)8-11-23-17-24(12-15-26(23)22-6-2-1-3-7-22)27(32)29-16-4-5-21-18-30-31-19-21;2*27-24-11-7-20(8-12-24)6-9-22-17-23(10-13-25(22)31-15-2-1-3-16-31)26(32)28-14-4-5-21-18-29-30-19-21;1-31-17-22(16-30-31)24-11-8-21(25(32)27-12-2-3-19-14-28-29-15-19)13-20(24)7-4-18-5-9-23(26)10-6-18/h7-8,10-14,19,21-22,33H,1-5,15-18,20,23H2,(H,34,36);4-5,7-10,16-18,23H,1-2,11-15H2,(H,32,36)(H,33,34);5-6,8-11,17-20H,2-3,12-16H2,1H3,(H,29,33)(H,30,31);8-9,11-14,18-20H,1-6,15-17H2,(H,29,33)(H,30,31);1-3,6-7,9-10,12-15,17-19H,4-5,16H2,(H,29,32)(H,30,31);2*7-8,10-13,17-19H,1-5,14-16H2,(H,28,32)(H,29,30);5-6,8-11,13-17H,2-3,12H2,1H3,(H,27,32)(H,28,29)
InChIKeyNPNIJLCOETVWPB-UHFFFAOYSA-N
XLogP37.70
TPSA486.61 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds48
Heavy Atoms266
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003583.29
LogP ≤ 537.70
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide?
The IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide (CID 159847722) is 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide?
The canonical SMILES for 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide is CC1CCN(c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)CC1.Cn1cc(-c2ccc(C(=O)NCCCc3cn[nH]c3)cc2C#Cc2ccc(F)cc2)cn1.O=C(NCCCc1cc[nH]c1)c1ccc(N2CCC3(CCCCC3)C2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCC(C(F)(F)F)CC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCC2)c(C#Cc2ccc(F)cc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(N2CCCCCC2)c(C#Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide?
The InChIKey is NPNIJLCOETVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN3O.C27H26F4N4O.2C27H29FN4O.C27H22FN3O.2C26H27FN4O.C25H22FN5O/c32-28-11-7-24(8-12-28)6-9-26-21-27(30(36)34-18-4-5-25-14-19-33-22-25)10-13-29(26)35-20-17-31(23-35)15-2-1-3-16-31;28-24-8-4-19(5-9-24)3-6-21-16-22(26(36)32-13-1-2-20-17-33-34-18-20)7-10-25(21)35-14-11-23(12-15-35)27(29,30)31;1-20-12-15-32(16-13-20)26-11-8-24(27(33)29-14-2-3-22-18-30-31-19-22)17-23(26)7-4-21-5-9-25(28)10-6-21;28-25-12-8-21(9-13-25)7-10-23-18-24(11-14-26(23)32-16-3-1-2-4-17-32)27(33)29-15-5-6-22-19-30-31-20-22;28-25-13-9-20(10-14-25)8-11-23-17-24(12-15-26(23)22-6-2-1-3-7-22)27(32)29-16-4-5-21-18-30-31-19-21;2*27-24-11-7-20(8-12-24)6-9-22-17-23(10-13-25(22)31-15-2-1-3-16-31)26(32)28-14-4-5-21-18-29-30-19-21;1-31-17-22(16-30-31)24-11-8-21(25(32)27-12-2-3-19-14-28-29-15-19)13-20(24)7-4-18-5-9-23(26)10-6-18/h7-8,10-14,19,21-22,33H,1-5,15-18,20,23H2,(H,34,36);4-5,7-10,16-18,23H,1-2,11-15H2,(H,32,36)(H,33,34);5-6,8-11,17-20H,2-3,12-16H2,1H3,(H,29,33)(H,30,31);8-9,11-14,18-20H,1-6,15-17H2,(H,29,33)(H,30,31);1-3,6-7,9-10,12-15,17-19H,4-5,16H2,(H,29,32)(H,30,31);2*7-8,10-13,17-19H,1-5,14-16H2,(H,28,32)(H,29,30);5-6,8-11,13-17H,2-3,12H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide?
4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide has a molecular weight of 3583.29 g/mol, XLogP of 37.70, 48 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-(azepan-1-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(4-methylpiperidin-1-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-(1-methylpyrazol-4-yl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;bis(3-[2-(4-fluorophenyl)ethynyl]-4-piperidin-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-[4-(trifluoromethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 159847722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).