8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)

C227H270Cl14F15N29O23 — CID 162190047

IUPAC8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)
SMILESCCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)C4CCC4)C2)CC3)c1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccno4)C2)CC3)c1.O=C(C1CCC1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H33Cl2F3N4O3.C32H37Cl2F3N4O2.C32H39Cl2F3N4O2.C32H40Cl2N4O3.C32H42Cl2N4O3.C32H42Cl2N4O2.C31H35Cl2N5O4.2C2HF3O2/c33-25-8-7-22(19-26(25)34)30(10-16-40(20-30)28(42)27-6-2-17-44-27)9-3-13-39-14-11-31(12-15-39)29(43)38-21-41(31)24-5-1-4-23(18-24)32(35,36)37;33-26-9-8-23(19-27(26)34)30(11-17-40(20-30)28(42)22-4-1-5-22)10-3-14-39-15-12-31(13-16-39)29(43)38-21-41(31)25-7-2-6-24(18-25)32(35,36)37;1-2-3-8-28(42)40-18-12-30(21-40,23-9-10-26(33)27(34)20-23)11-5-15-39-16-13-31(14-17-39)29(43)38-22-41(31)25-7-4-6-24(19-25)32(35,36)37;1-41-26-8-3-7-25(20-26)38-22-35-30(40)32(38)13-16-36(17-14-32)15-4-11-31(24-9-10-27(33)28(34)19-24)12-18-37(21-31)29(39)23-5-2-6-23;1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2;1-3-4-9-29(39)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)26-8-5-7-24(2)20-26;1-41-24-5-2-4-23(19-24)38-21-34-29(40)31(38)11-15-36(16-12-31)14-3-9-30(22-6-7-25(32)26(33)18-22)10-17-37(20-30)28(39)27-8-13-35-42-27;2*3-2(4,5)1(6)7/h1-2,4-8,17-19H,3,9-16,20-21H2,(H,38,43);2,6-9,18-19,22H,1,3-5,10-17,20-21H2,(H,38,43);4,6-7,9-10,19-20H,2-3,5,8,11-18,21-22H2,1H3,(H,38,43);3,7-10,19-20,23H,2,4-6,11-18,21-22H2,1H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);2,4-8,13,18-19H,3,9-12,14-17,20-21H2,1H3,(H,34,40);2*(H,6,7)
InChIKeyLFYDQYDERMJUKW-UHFFFAOYSA-N
MW4554.15 g/mol
LogP43.74
Rot. Bonds58

About 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)

8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162190047) has the molecular formula C227H270Cl14F15N29O23 and a molecular weight of 4554.15 g/mol. Its IUPAC name is 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID162190047
Molecular FormulaC227H270Cl14F15N29O23
Molecular Weight4554.15 g/mol
Exact Mass4544.62
IUPAC Name8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)
SMILESCCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)C4CCC4)C2)CC3)c1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccno4)C2)CC3)c1.O=C(C1CCC1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H33Cl2F3N4O3.C32H37Cl2F3N4O2.C32H39Cl2F3N4O2.C32H40Cl2N4O3.C32H42Cl2N4O3.C32H42Cl2N4O2.C31H35Cl2N5O4.2C2HF3O2/c33-25-8-7-22(19-26(25)34)30(10-16-40(20-30)28(42)27-6-2-17-44-27)9-3-13-39-14-11-31(12-15-39)29(43)38-21-41(31)24-5-1-4-23(18-24)32(35,36)37;33-26-9-8-23(19-27(26)34)30(11-17-40(20-30)28(42)22-4-1-5-22)10-3-14-39-15-12-31(13-16-39)29(43)38-21-41(31)25-7-2-6-24(18-25)32(35,36)37;1-2-3-8-28(42)40-18-12-30(21-40,23-9-10-26(33)27(34)20-23)11-5-15-39-16-13-31(14-17-39)29(43)38-22-41(31)25-7-4-6-24(19-25)32(35,36)37;1-41-26-8-3-7-25(20-26)38-22-35-30(40)32(38)13-16-36(17-14-32)15-4-11-31(24-9-10-27(33)28(34)19-24)12-18-37(21-31)29(39)23-5-2-6-23;1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2;1-3-4-9-29(39)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)26-8-5-7-24(2)20-26;1-41-24-5-2-4-23(19-24)38-21-34-29(40)31(38)11-15-36(16-12-31)14-3-9-30(22-6-7-25(32)26(33)18-22)10-17-37(20-30)28(39)27-8-13-35-42-27;2*3-2(4,5)1(6)7/h1-2,4-8,17-19H,3,9-16,20-21H2,(H,38,43);2,6-9,18-19,22H,1,3-5,10-17,20-21H2,(H,38,43);4,6-7,9-10,19-20H,2-3,5,8,11-18,21-22H2,1H3,(H,38,43);3,7-10,19-20,23H,2,4-6,11-18,21-22H2,1H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);2,4-8,13,18-19H,3,9-12,14-17,20-21H2,1H3,(H,34,40);2*(H,6,7)
InChIKeyLFYDQYDERMJUKW-UHFFFAOYSA-N
XLogP43.74
TPSA532.69 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds58
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004554.15
LogP ≤ 543.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) (CID 162190047) is 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) is CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C)c2)(c2ccc(Cl)c(Cl)c2)C1.CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)C4CCC4)C2)CC3)c1.COc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccno4)C2)CC3)c1.O=C(C1CCC1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LFYDQYDERMJUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2F3N4O3.C32H37Cl2F3N4O2.C32H39Cl2F3N4O2.C32H40Cl2N4O3.C32H42Cl2N4O3.C32H42Cl2N4O2.C31H35Cl2N5O4.2C2HF3O2/c33-25-8-7-22(19-26(25)34)30(10-16-40(20-30)28(42)27-6-2-17-44-27)9-3-13-39-14-11-31(12-15-39)29(43)38-21-41(31)24-5-1-4-23(18-24)32(35,36)37;33-26-9-8-23(19-27(26)34)30(11-17-40(20-30)28(42)22-4-1-5-22)10-3-14-39-15-12-31(13-16-39)29(43)38-21-41(31)25-7-2-6-24(18-25)32(35,36)37;1-2-3-8-28(42)40-18-12-30(21-40,23-9-10-26(33)27(34)20-23)11-5-15-39-16-13-31(14-17-39)29(43)38-22-41(31)25-7-4-6-24(19-25)32(35,36)37;1-41-26-8-3-7-25(20-26)38-22-35-30(40)32(38)13-16-36(17-14-32)15-4-11-31(24-9-10-27(33)28(34)19-24)12-18-37(21-31)29(39)23-5-2-6-23;1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2;1-3-4-9-29(39)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)26-8-5-7-24(2)20-26;1-41-24-5-2-4-23(19-24)38-21-34-29(40)31(38)11-15-36(16-12-31)14-3-9-30(22-6-7-25(32)26(33)18-22)10-17-37(20-30)28(39)27-8-13-35-42-27;2*3-2(4,5)1(6)7/h1-2,4-8,17-19H,3,9-16,20-21H2,(H,38,43);2,6-9,18-19,22H,1,3-5,10-17,20-21H2,(H,38,43);4,6-7,9-10,19-20H,2-3,5,8,11-18,21-22H2,1H3,(H,38,43);3,7-10,19-20,23H,2,4-6,11-18,21-22H2,1H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40);2,4-8,13,18-19H,3,9-12,14-17,20-21H2,1H3,(H,34,40);2*(H,6,7).
What are the key properties of 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid)?
8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 4554.15 g/mol, XLogP of 43.74, 58 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[1-(cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decan-4-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162190047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).