tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C110H110F12N20O7 — CID 158751700

About tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 158751700) has the molecular formula C110H110F12N20O7 and a molecular weight of 2052.20 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
• PubChem CID: 158751700
• Molecular Formula: C110H110F12N20O7
• Molecular Weight: 2052.20 g/mol
• Exact Mass: 2050.87
• IUPAC Name: tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3[nH]ccc3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C27H30F3N5O3.2C22H21F3N4O.C20H21N3O.C19H17F3N4O/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;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;23-22(24,25)19-8-5-16(21(28-19)29-12-2-1-3-13-29)6-9-20(30)27-17-7-4-15-10-11-26-18(15)14-17;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;1-26(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/h4-10,13,16,19,31H,11-12,14-15H2,1-3H3,(H,32,36)(H,33,37);2*4-11,14,26H,1-3,12-13H2,(H,27,30);4-13,21H,1-3H3,(H,23,24);3-11,23H,1-2H3,(H,24,27)/b2*9-5+;9-6+;9-5+;8-4+
• InChIKey: INOJDVPDDJUQCU-GMFRBCQCSA-N
• XLogP: 24.99
• TPSA: 340.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.20
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?

The IUPAC name of tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 158751700) is tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

What is the SMILES notation for tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?

The canonical SMILES for tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is CC(C)(C)OC(=O)NC1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3[nH]ccc3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cc[nH]c2c1.

What is the InChIKey of tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?

The InChIKey is INOJDVPDDJUQCU-GMFRBCQCSA-N. The full InChI is InChI=1S/C27H30F3N5O3.2C22H21F3N4O.C20H21N3O.C19H17F3N4O/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;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;23-22(24,25)19-8-5-16(21(28-19)29-12-2-1-3-13-29)6-9-20(30)27-17-7-4-15-10-11-26-18(15)14-17;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;1-26(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/h4-10,13,16,19,31H,11-12,14-15H2,1-3H3,(H,32,36)(H,33,37);2*4-11,14,26H,1-3,12-13H2,(H,27,30);4-13,21H,1-3H3,(H,23,24);3-11,23H,1-2H3,(H,24,27)/b2*9-5+;9-6+;9-5+;8-4+.

What are the key properties of tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?

tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 2052.20 g/mol, XLogP of 24.99, 20 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[3-[(E)-3-(1H-indol-5-ylamino)-3-oxoprop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 158751700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).