tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide

C151H169F12N25O11 — CID 159903598

IUPACtert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C27H32F3N5O3.C23H23F3N4O.C22H23F3N4O.2C20H23N3O.C20H26N2O3.C19H19F3N4O/c1-26(2,3)38-25(37)33-19-11-14-35(15-12-19)24-17(4-8-22(34-24)27(28,29)30)5-9-23(36)32-20-6-7-21-18(16-20)10-13-31-21;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-6-7-17-15(12-16)10-11-21-17;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h4,6-8,10,13,16,19,31H,5,9,11-12,14-15H2,1-3H3,(H,32,36)(H,33,37);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);4,6-8,10-11,14,26H,1-3,5,9,12-13H2,(H,27,30);2*4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);3,5-7,9-11,23H,4,8H2,1-2H3,(H,24,27)
InChIKeyNWGWKPAVISOQDV-UHFFFAOYSA-N
MW2738.15 g/mol
LogP32.40
Rot. Bonds36

About tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide

tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide (PubChem CID 159903598) has the molecular formula C151H169F12N25O11 and a molecular weight of 2738.15 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
PubChem CID159903598
Molecular FormulaC151H169F12N25O11
Molecular Weight2738.15 g/mol
Exact Mass2736.32
IUPAC Nametert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C27H32F3N5O3.C23H23F3N4O.C22H23F3N4O.2C20H23N3O.C20H26N2O3.C19H19F3N4O/c1-26(2,3)38-25(37)33-19-11-14-35(15-12-19)24-17(4-8-22(34-24)27(28,29)30)5-9-23(36)32-20-6-7-21-18(16-20)10-13-31-21;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-6-7-17-15(12-16)10-11-21-17;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h4,6-8,10,13,16,19,31H,5,9,11-12,14-15H2,1-3H3,(H,32,36)(H,33,37);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);4,6-8,10-11,14,26H,1-3,5,9,12-13H2,(H,27,30);2*4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);3,5-7,9-11,23H,4,8H2,1-2H3,(H,24,27)
InChIKeyNWGWKPAVISOQDV-UHFFFAOYSA-N
XLogP32.40
TPSA466.52 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.15
LogP ≤ 532.40
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 157269623
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 157910321
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 158358233
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 158473571
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 158795714
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 159170657
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
CID 159182209
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159203453
3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
CID 160451562
3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 160547141
N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 160982123
3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 161520806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide?
The IUPAC name of tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide (CID 159903598) is tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide.
What is the SMILES notation for tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide?
The canonical SMILES for tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide is CC(C)(C)OC(=O)NC1CCN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc(OCCO)nc2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1.
What is the InChIKey of tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide?
The InChIKey is NWGWKPAVISOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3.C23H23F3N4O.C22H23F3N4O.2C20H23N3O.C20H26N2O3.C19H19F3N4O/c1-26(2,3)38-25(37)33-19-11-14-35(15-12-19)24-17(4-8-22(34-24)27(28,29)30)5-9-23(36)32-20-6-7-21-18(16-20)10-13-31-21;24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-6-7-17-15(12-16)10-11-21-17;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-20(2,3)16-7-4-15(5-8-16)6-10-18(24)22-17-9-11-19(21-14-17)25-13-12-23;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h4,6-8,10,13,16,19,31H,5,9,11-12,14-15H2,1-3H3,(H,32,36)(H,33,37);2-3,6-8,10,14-15H,1,4-5,9,11-13H2,(H,28,31);4,6-8,10-11,14,26H,1-3,5,9,12-13H2,(H,27,30);2*4,6-8,10-13,21H,5,9H2,1-3H3,(H,23,24);4-5,7-9,11,14,23H,6,10,12-13H2,1-3H3,(H,22,24);3,5-7,9-11,23H,4,8H2,1-2H3,(H,24,27).
What are the key properties of tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide?
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide has a molecular weight of 2738.15 g/mol, XLogP of 32.40, 36 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 159903598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).