N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C153H148ClF18N31O15S — CID 161371182

IUPACN-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)C1CCN(C(=O)c2ccc(-c3ccc(NC(=O)c4oc(N5CCCC(C)C5)nc4C(F)(F)F)cc3)nc2)CC1.Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)ncc1NC(=O)c1oc(N2CCCC(C)C2)nc1C(F)(F)F.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3sc(CN(C)c4ccccc4)nc3C(F)(F)F)nc2)cc1.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccc(Cl)cc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CC[C@H](c3ccccc3)C2)nc1C(F)(F)F
InChIInChI=1S/C32H30ClF4N7O3.C32H26F3N5O2S.C31H29F4N7O3.C30H32F3N5O4.C28H31F4N7O3/c33-22-7-5-20(6-8-22)21-11-13-44(14-12-21)31-41-28(32(35,36)37)27(47-31)29(45)39-23-9-10-26(38-19-23)42-15-17-43(18-16-42)30(46)40-25-4-2-1-3-24(25)34;1-20-8-6-7-11-25(20)37-30(41)22-14-12-21(13-15-22)23-16-17-26(36-18-23)38-31(42)28-29(32(33,34)35)39-27(43-28)19-40(2)24-9-4-3-5-10-24;32-23-8-4-5-9-24(23)38-29(44)41-16-14-40(15-17-41)25-11-10-22(18-36-25)37-28(43)26-27(31(33,34)35)39-30(45-26)42-13-12-21(19-42)20-6-2-1-3-7-20;1-18-4-3-13-38(17-18)29-36-26(30(31,32)33)25(42-29)27(40)35-23-8-5-21(6-9-23)24-10-7-22(16-34-24)28(41)37-14-11-20(12-15-37)19(2)39;1-17-6-5-9-39(16-17)27-36-24(28(30,31)32)23(42-27)25(40)34-21-15-33-22(14-18(21)2)37-10-12-38(13-11-37)26(41)35-20-8-4-3-7-19(20)29/h1-10,19,21H,11-18H2,(H,39,45)(H,40,46);3-18H,19H2,1-2H3,(H,37,41)(H,36,38,42);1-11,18,21H,12-17,19H2,(H,37,43)(H,38,44);5-10,16,18,20H,3-4,11-15,17H2,1-2H3,(H,35,40);3-4,7-8,14-15,17H,5-6,9-13,16H2,1-2H3,(H,34,40)(H,35,41)/t;;21-;;/m..0../s1
InChIKeyVQMCBONNQMKYKG-OMDLMCHHSA-N
MW3070.55 g/mol
LogP31.44
Rot. Bonds31

About N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 161371182) has the molecular formula C153H148ClF18N31O15S and a molecular weight of 3070.55 g/mol. Its IUPAC name is N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID161371182
Molecular FormulaC153H148ClF18N31O15S
Molecular Weight3070.55 g/mol
Exact Mass3068.09
IUPAC NameN-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)C1CCN(C(=O)c2ccc(-c3ccc(NC(=O)c4oc(N5CCCC(C)C5)nc4C(F)(F)F)cc3)nc2)CC1.Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)ncc1NC(=O)c1oc(N2CCCC(C)C2)nc1C(F)(F)F.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3sc(CN(C)c4ccccc4)nc3C(F)(F)F)nc2)cc1.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccc(Cl)cc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CC[C@H](c3ccccc3)C2)nc1C(F)(F)F
InChIInChI=1S/C32H30ClF4N7O3.C32H26F3N5O2S.C31H29F4N7O3.C30H32F3N5O4.C28H31F4N7O3/c33-22-7-5-20(6-8-22)21-11-13-44(14-12-21)31-41-28(32(35,36)37)27(47-31)29(45)39-23-9-10-26(38-19-23)42-15-17-43(18-16-42)30(46)40-25-4-2-1-3-24(25)34;1-20-8-6-7-11-25(20)37-30(41)22-14-12-21(13-15-22)23-16-17-26(36-18-23)38-31(42)28-29(32(33,34)35)39-27(43-28)19-40(2)24-9-4-3-5-10-24;32-23-8-4-5-9-24(23)38-29(44)41-16-14-40(15-17-41)25-11-10-22(18-36-25)37-28(43)26-27(31(33,34)35)39-30(45-26)42-13-12-21(19-42)20-6-2-1-3-7-20;1-18-4-3-13-38(17-18)29-36-26(30(31,32)33)25(42-29)27(40)35-23-8-5-21(6-9-23)24-10-7-22(16-34-24)28(41)37-14-11-20(12-15-37)19(2)39;1-17-6-5-9-39(16-17)27-36-24(28(30,31)32)23(42-27)25(40)34-21-15-33-22(14-18(21)2)37-10-12-38(13-11-37)26(41)35-20-8-4-3-7-19(20)29/h1-10,19,21H,11-18H2,(H,39,45)(H,40,46);3-18H,19H2,1-2H3,(H,37,41)(H,36,38,42);1-11,18,21H,12-17,19H2,(H,37,43)(H,38,44);5-10,16,18,20H,3-4,11-15,17H2,1-2H3,(H,35,40);3-4,7-8,14-15,17H,5-6,9-13,16H2,1-2H3,(H,34,40)(H,35,41)/t;;21-;;/m..0../s1
InChIKeyVQMCBONNQMKYKG-OMDLMCHHSA-N
XLogP31.44
TPSA516.38 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.55
LogP ≤ 531.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 158656732
2-[(1-benzylpyrrolidin-3-yl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-5-(trifluoromethyl)-3H-pyrrole-4-carboxamide;N-[6-[[(3S)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[4-[4-(3-oxobutylcarbamoyl)phenyl]phenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 160298764
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl(2-phenylethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[4-(1-hydroxyethenyl)cyclohexanecarbonyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[4-[5-[(2-methylphenyl)carbamoyl]-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 162061371
3-chloro-4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;4-fluoro-N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)imidazole-2-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)piperidine-4-carboxamide;1-methyl-N-(5-pyridin-2-ylpyrazin-2-yl)pyrrolidine-3-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-oxazole-5-carboxamide;N-(5-pyridin-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide;N-(5-pyridin-2-ylpyrimidin-2-yl)benzamide
CID 161150311

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 161371182) is N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(=O)C1CCN(C(=O)c2ccc(-c3ccc(NC(=O)c4oc(N5CCCC(C)C5)nc4C(F)(F)F)cc3)nc2)CC1.Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)ncc1NC(=O)c1oc(N2CCCC(C)C2)nc1C(F)(F)F.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3sc(CN(C)c4ccccc4)nc3C(F)(F)F)nc2)cc1.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccc(Cl)cc3)CC2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CC[C@H](c3ccccc3)C2)nc1C(F)(F)F.
What is the InChIKey of N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQMCBONNQMKYKG-OMDLMCHHSA-N. The full InChI is InChI=1S/C32H30ClF4N7O3.C32H26F3N5O2S.C31H29F4N7O3.C30H32F3N5O4.C28H31F4N7O3/c33-22-7-5-20(6-8-22)21-11-13-44(14-12-21)31-41-28(32(35,36)37)27(47-31)29(45)39-23-9-10-26(38-19-23)42-15-17-43(18-16-42)30(46)40-25-4-2-1-3-24(25)34;1-20-8-6-7-11-25(20)37-30(41)22-14-12-21(13-15-22)23-16-17-26(36-18-23)38-31(42)28-29(32(33,34)35)39-27(43-28)19-40(2)24-9-4-3-5-10-24;32-23-8-4-5-9-24(23)38-29(44)41-16-14-40(15-17-41)25-11-10-22(18-36-25)37-28(43)26-27(31(33,34)35)39-30(45-26)42-13-12-21(19-42)20-6-2-1-3-7-20;1-18-4-3-13-38(17-18)29-36-26(30(31,32)33)25(42-29)27(40)35-23-8-5-21(6-9-23)24-10-7-22(16-34-24)28(41)37-14-11-20(12-15-37)19(2)39;1-17-6-5-9-39(16-17)27-36-24(28(30,31)32)23(42-27)25(40)34-21-15-33-22(14-18(21)2)37-10-12-38(13-11-37)26(41)35-20-8-4-3-7-19(20)29/h1-10,19,21H,11-18H2,(H,39,45)(H,40,46);3-18H,19H2,1-2H3,(H,37,41)(H,36,38,42);1-11,18,21H,12-17,19H2,(H,37,43)(H,38,44);5-10,16,18,20H,3-4,11-15,17H2,1-2H3,(H,35,40);3-4,7-8,14-15,17H,5-6,9-13,16H2,1-2H3,(H,34,40)(H,35,41)/t;;21-;;/m..0../s1.
What are the key properties of N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 3070.55 g/mol, XLogP of 31.44, 31 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-acetylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[4-(4-chlorophenyl)piperidin-1-yl]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-4-methyl-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-[(N-methylanilino)methyl]-N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161371182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).