ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide

C94H85F9N10O9 — CID 159148111

About ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide

ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 159148111) has the molecular formula C94H85F9N10O9 and a molecular weight of 1669.76 g/mol. Its IUPAC name is ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 159148111
• Molecular Formula: C94H85F9N10O9
• Molecular Weight: 1669.76 g/mol
• Exact Mass: 1668.64
• IUPAC Name: ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
• SMILES: CCOC(=O)c1cc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.COc1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1ccncc1)Nc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C24H20F3N3O2.C24H29NO5.2C23H18F3N3O/c1-32-23-9-4-17(14-29-23)20-13-18(24(25,26)27)5-2-15(20)3-8-22(31)30-19-6-7-21-16(12-19)10-11-28-21;1-5-28-23(27)19-14-17(24(2,3)4)8-6-16(19)7-11-22(26)25-18-9-10-20-21(15-18)30-13-12-29-20;24-23(25,26)18-3-1-15(20(14-18)16-7-10-27-11-8-16)2-6-22(30)29-19-4-5-21-17(13-19)9-12-28-21;24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h2,4-7,9-14,28H,3,8H2,1H3,(H,30,31);6,8-10,14-15H,5,7,11-13H2,1-4H3,(H,25,26);1,3-5,7-14,28H,2,6H2,(H,29,30);1-3,5-7,9-14,28H,4,8H2,(H,29,30)
• InChIKey: KIYBEKBSYPEGHN-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 256.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1669.76
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide (CID 159148111) is ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide is CCOC(=O)c1cc(C(C)(C)C)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.COc1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1ccncc1)Nc1ccc2[nH]ccc2c1.

What is the InChIKey of ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide?

The InChIKey is KIYBEKBSYPEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2.C24H29NO5.2C23H18F3N3O/c1-32-23-9-4-17(14-29-23)20-13-18(24(25,26)27)5-2-15(20)3-8-22(31)30-19-6-7-21-16(12-19)10-11-28-21;1-5-28-23(27)19-14-17(24(2,3)4)8-6-16(19)7-11-22(26)25-18-9-10-20-21(15-18)30-13-12-29-20;24-23(25,26)18-3-1-15(20(14-18)16-7-10-27-11-8-16)2-6-22(30)29-19-4-5-21-17(13-19)9-12-28-21;24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h2,4-7,9-14,28H,3,8H2,1H3,(H,30,31);6,8-10,14-15H,5,7,11-13H2,1-4H3,(H,25,26);1,3-5,7-14,28H,2,6H2,(H,29,30);1-3,5-7,9-14,28H,4,8H2,(H,29,30).

What are the key properties of ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide?

ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 1669.76 g/mol, XLogP of 21.97, 22 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 159148111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).