N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C165H176F25N43O18 — CID 159759306

IUPACN-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(c5ccccc5F)CC4)nc3)o2)C1.CCOC(=O)c1nnc2n1CCN(c1ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn1)C2.N#C/N=C(\N1CCCC1)N1CCN(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1.O=C(Nc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C32H31F3N8O2.C31H34F3N9O2.C29H29F3N8O4.C26H28F4N6O2.C24H28F6N6O4.C23H26F6N6O4/c33-32(34,35)28-27(45-31(40-28)43-14-12-22(13-15-43)21-6-2-1-3-7-21)29(44)37-23-10-11-26(36-20-23)41-16-18-42(19-17-41)30-38-24-8-4-5-9-25(24)39-30;32-31(33,34)27-26(45-30(39-27)43-14-10-23(11-15-43)22-6-2-1-3-7-22)28(44)38-24-8-9-25(36-20-24)40-16-18-42(19-17-40)29(37-21-35)41-12-4-5-13-41;1-2-43-27(42)25-37-36-22-17-39(14-15-40(22)25)21-9-8-20(16-33-21)34-26(41)23-24(29(30,31)32)35-28(44-23)38-12-10-19(11-13-38)18-6-4-3-5-7-18;1-17-5-4-10-36(16-17)25-33-23(26(28,29)30)22(38-25)24(37)32-18-8-9-21(31-15-18)35-13-11-34(12-14-35)20-7-3-2-6-19(20)27;1-14-4-2-7-36(13-14)22-33-18(23(25,26)27)17(40-22)20(38)32-15-5-6-16(31-12-15)34-8-3-9-35(11-10-34)21(39)19(37)24(28,29)30;1-13-3-2-6-35(12-13)21-32-17(22(24,25)26)16(39-21)19(37)31-14-4-5-15(30-11-14)33-7-9-34(10-8-33)20(38)18(36)23(27,28)29/h1-11,20,22H,12-19H2,(H,37,44)(H,38,39);1-3,6-9,20,23H,4-5,10-19H2,(H,38,44);3-9,16,19H,2,10-15,17H2,1H3,(H,34,41);2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,32,37);5-6,12,14,19,37H,2-4,7-11,13H2,1H3,(H,32,38);4-5,11,13,18,36H,2-3,6-10,12H2,1H3,(H,31,37)/b;37-29+;;;;
InChIKeyNERCYPGJQXOIAY-KGXBHCEGSA-N
MW3524.46 g/mol
LogP26.95
Rot. Bonds33

About N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 159759306) has the molecular formula C165H176F25N43O18 and a molecular weight of 3524.46 g/mol. Its IUPAC name is N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID159759306
Molecular FormulaC165H176F25N43O18
Molecular Weight3524.46 g/mol
Exact Mass3522.38
IUPAC NameN-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(c5ccccc5F)CC4)nc3)o2)C1.CCOC(=O)c1nnc2n1CCN(c1ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn1)C2.N#C/N=C(\N1CCCC1)N1CCN(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1.O=C(Nc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C32H31F3N8O2.C31H34F3N9O2.C29H29F3N8O4.C26H28F4N6O2.C24H28F6N6O4.C23H26F6N6O4/c33-32(34,35)28-27(45-31(40-28)43-14-12-22(13-15-43)21-6-2-1-3-7-21)29(44)37-23-10-11-26(36-20-23)41-16-18-42(19-17-41)30-38-24-8-4-5-9-25(24)39-30;32-31(33,34)27-26(45-30(39-27)43-14-10-23(11-15-43)22-6-2-1-3-7-22)28(44)38-24-8-9-25(36-20-24)40-16-18-42(19-17-40)29(37-21-35)41-12-4-5-13-41;1-2-43-27(42)25-37-36-22-17-39(14-15-40(22)25)21-9-8-20(16-33-21)34-26(41)23-24(29(30,31)32)35-28(44-23)38-12-10-19(11-13-38)18-6-4-3-5-7-18;1-17-5-4-10-36(16-17)25-33-23(26(28,29)30)22(38-25)24(37)32-18-8-9-21(31-15-18)35-13-11-34(12-14-35)20-7-3-2-6-19(20)27;1-14-4-2-7-36(13-14)22-33-18(23(25,26)27)17(40-22)20(38)32-15-5-6-16(31-12-15)34-8-3-9-35(11-10-34)21(39)19(37)24(28,29)30;1-13-3-2-6-35(12-13)21-32-17(22(24,25)26)16(39-21)19(37)31-14-4-5-15(30-11-14)33-7-9-34(10-8-33)20(38)18(36)23(27,28)29/h1-11,20,22H,12-19H2,(H,37,44)(H,38,39);1-3,6-9,20,23H,4-5,10-19H2,(H,38,44);3-9,16,19H,2,10-15,17H2,1H3,(H,34,41);2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,32,37);5-6,12,14,19,37H,2-4,7-11,13H2,1H3,(H,32,38);4-5,11,13,18,36H,2-3,6-10,12H2,1H3,(H,31,37)/b;37-29+;;;;
InChIKeyNERCYPGJQXOIAY-KGXBHCEGSA-N
XLogP26.95
TPSA662.88 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds33
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.46
LogP ≤ 526.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208787
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391114
N-[6-[4-(phenylcarbamoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293581
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
2-(4-phenylpiperidin-1-yl)-N-[6-(3-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391215
N-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390657
2-(3,3-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390428
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390403
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
CID 67294385
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211945
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
CID 58428844

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 159759306) is N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(c5ccccc5F)CC4)nc3)o2)C1.CCOC(=O)c1nnc2n1CCN(c1ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn1)C2.N#C/N=C(\N1CCCC1)N1CCN(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1.O=C(Nc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is NERCYPGJQXOIAY-KGXBHCEGSA-N. The full InChI is InChI=1S/C32H31F3N8O2.C31H34F3N9O2.C29H29F3N8O4.C26H28F4N6O2.C24H28F6N6O4.C23H26F6N6O4/c33-32(34,35)28-27(45-31(40-28)43-14-12-22(13-15-43)21-6-2-1-3-7-21)29(44)37-23-10-11-26(36-20-23)41-16-18-42(19-17-41)30-38-24-8-4-5-9-25(24)39-30;32-31(33,34)27-26(45-30(39-27)43-14-10-23(11-15-43)22-6-2-1-3-7-22)28(44)38-24-8-9-25(36-20-24)40-16-18-42(19-17-40)29(37-21-35)41-12-4-5-13-41;1-2-43-27(42)25-37-36-22-17-39(14-15-40(22)25)21-9-8-20(16-33-21)34-26(41)23-24(29(30,31)32)35-28(44-23)38-12-10-19(11-13-38)18-6-4-3-5-7-18;1-17-5-4-10-36(16-17)25-33-23(26(28,29)30)22(38-25)24(37)32-18-8-9-21(31-15-18)35-13-11-34(12-14-35)20-7-3-2-6-19(20)27;1-14-4-2-7-36(13-14)22-33-18(23(25,26)27)17(40-22)20(38)32-15-5-6-16(31-12-15)34-8-3-9-35(11-10-34)21(39)19(37)24(28,29)30;1-13-3-2-6-35(12-13)21-32-17(22(24,25)26)16(39-21)19(37)31-14-4-5-15(30-11-14)33-7-9-34(10-8-33)20(38)18(36)23(27,28)29/h1-11,20,22H,12-19H2,(H,37,44)(H,38,39);1-3,6-9,20,23H,4-5,10-19H2,(H,38,44);3-9,16,19H,2,10-15,17H2,1H3,(H,34,41);2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,32,37);5-6,12,14,19,37H,2-4,7-11,13H2,1H3,(H,32,38);4-5,11,13,18,36H,2-3,6-10,12H2,1H3,(H,31,37)/b;37-29+;;;;.
What are the key properties of N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 3524.46 g/mol, XLogP of 26.95, 33 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 159759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).