N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C183H172F25N35O18S3 — CID 162153060

IUPACN-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)CC1CCC(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)CC1.O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3cccc(F)c3)C2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(F)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(O)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(COc2ccccc2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(CSc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C32H30F5N7O3.C32H29F5N6O3.C32H31F4N7O4.C31H34F3N3O3.C28H24F4N6O3S.C28H24F4N6O2S2/c33-23-8-4-5-9-24(23)40-29(46)43-18-16-42(17-19-43)25-11-10-22(20-38-25)39-28(45)26-27(32(35,36)37)41-30(47-26)44-14-12-31(34,13-15-44)21-6-2-1-3-7-21;33-23-6-3-5-20(16-23)22-10-11-43(19-22)31-40-29(32(35,36)37)28(46-31)30(45)39-24-8-9-26(38-18-24)41-12-14-42(15-13-41)27(44)17-21-4-1-2-7-25(21)34;33-23-8-4-5-9-24(23)39-29(45)42-18-16-41(17-19-42)25-11-10-22(20-37-25)38-28(44)26-27(32(34,35)36)40-30(47-26)43-14-12-31(46,13-15-43)21-6-2-1-3-7-21;1-20(38)19-21-7-9-23(10-8-21)24-11-13-26(14-12-24)35-29(39)27-28(31(32,33)34)36-30(40-27)37-17-15-25(16-18-37)22-5-3-2-4-6-22;2*29-20-8-4-5-9-21(20)35-27(40)38-14-12-37(13-15-38)22-11-10-18(16-33-22)34-26(39)24-25(28(30,31)32)36-23(42-24)17-41-19-6-2-1-3-7-19/h1-11,20H,12-19H2,(H,39,45)(H,40,46);1-9,16,18,22H,10-15,17,19H2,(H,39,45);1-11,20,46H,12-19H2,(H,38,44)(H,39,45);2-6,11-14,21,23,25H,7-10,15-19H2,1H3,(H,35,39);2*1-11,16H,12-15,17H2,(H,34,39)(H,35,40)
InChIKeyZLLSEOKWHCGHDT-UHFFFAOYSA-N
MW3720.77 g/mol
LogP37.18
Rot. Bonds40

About N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 162153060) has the molecular formula C183H172F25N35O18S3 and a molecular weight of 3720.77 g/mol. Its IUPAC name is N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID162153060
Molecular FormulaC183H172F25N35O18S3
Molecular Weight3720.77 g/mol
Exact Mass3718.24
IUPAC NameN-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)CC1CCC(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)CC1.O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3cccc(F)c3)C2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(F)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(O)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(COc2ccccc2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(CSc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C32H30F5N7O3.C32H29F5N6O3.C32H31F4N7O4.C31H34F3N3O3.C28H24F4N6O3S.C28H24F4N6O2S2/c33-23-8-4-5-9-24(23)40-29(46)43-18-16-42(17-19-43)25-11-10-22(20-38-25)39-28(45)26-27(32(35,36)37)41-30(47-26)44-14-12-31(34,13-15-44)21-6-2-1-3-7-21;33-23-6-3-5-20(16-23)22-10-11-43(19-22)31-40-29(32(35,36)37)28(46-31)30(45)39-24-8-9-26(38-18-24)41-12-14-42(15-13-41)27(44)17-21-4-1-2-7-25(21)34;33-23-8-4-5-9-24(23)39-29(45)42-18-16-41(17-19-42)25-11-10-22(20-37-25)38-28(44)26-27(32(34,35)36)40-30(47-26)43-14-12-31(46,13-15-43)21-6-2-1-3-7-21;1-20(38)19-21-7-9-23(10-8-21)24-11-13-26(14-12-24)35-29(39)27-28(31(32,33)34)36-30(40-27)37-17-15-25(16-18-37)22-5-3-2-4-6-22;2*29-20-8-4-5-9-21(20)35-27(40)38-14-12-37(13-15-38)22-11-10-18(16-33-22)34-26(39)24-25(28(30,31)32)36-23(42-24)17-41-19-6-2-1-3-7-19/h1-11,20H,12-19H2,(H,39,45)(H,40,46);1-9,16,18,22H,10-15,17,19H2,(H,39,45);1-11,20,46H,12-19H2,(H,38,44)(H,39,45);2-6,11-14,21,23,25H,7-10,15-19H2,1H3,(H,35,39);2*1-11,16H,12-15,17H2,(H,34,39)(H,35,40)
InChIKeyZLLSEOKWHCGHDT-UHFFFAOYSA-N
XLogP37.18
TPSA594.31 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds40
Heavy Atoms264
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003720.77
LogP ≤ 537.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 162153060) is N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC(=O)CC1CCC(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)CC1.O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3cccc(F)c3)C2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(F)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(O)(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(COc2ccccc2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1sc(CSc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZLLSEOKWHCGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F5N7O3.C32H29F5N6O3.C32H31F4N7O4.C31H34F3N3O3.C28H24F4N6O3S.C28H24F4N6O2S2/c33-23-8-4-5-9-24(23)40-29(46)43-18-16-42(17-19-43)25-11-10-22(20-38-25)39-28(45)26-27(32(35,36)37)41-30(47-26)44-14-12-31(34,13-15-44)21-6-2-1-3-7-21;33-23-6-3-5-20(16-23)22-10-11-43(19-22)31-40-29(32(35,36)37)28(46-31)30(45)39-24-8-9-26(38-18-24)41-12-14-42(15-13-41)27(44)17-21-4-1-2-7-25(21)34;33-23-8-4-5-9-24(23)39-29(45)42-18-16-41(17-19-42)25-11-10-22(20-37-25)38-28(44)26-27(32(34,35)36)40-30(47-26)43-14-12-31(46,13-15-43)21-6-2-1-3-7-21;1-20(38)19-21-7-9-23(10-8-21)24-11-13-26(14-12-24)35-29(39)27-28(31(32,33)34)36-30(40-27)37-17-15-25(16-18-37)22-5-3-2-4-6-22;2*29-20-8-4-5-9-21(20)35-27(40)38-14-12-37(13-15-38)22-11-10-18(16-33-22)34-26(39)24-25(28(30,31)32)36-23(42-24)17-41-19-6-2-1-3-7-19/h1-11,20H,12-19H2,(H,39,45)(H,40,46);1-9,16,18,22H,10-15,17,19H2,(H,39,45);1-11,20,46H,12-19H2,(H,38,44)(H,39,45);2-6,11-14,21,23,25H,7-10,15-19H2,1H3,(H,35,39);2*1-11,16H,12-15,17H2,(H,34,39)(H,35,40).
What are the key properties of N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 3720.77 g/mol, XLogP of 37.18, 40 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-fluoro-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(phenylsulfanylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 162153060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).