5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde

C91H93BrF12N14O11 — CID 160536306

About 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde

5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (PubChem CID 160536306) has the molecular formula C91H93BrF12N14O11 and a molecular weight of 1866.71 g/mol. Its IUPAC name is 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
• PubChem CID: 160536306
• Molecular Formula: C91H93BrF12N14O11
• Molecular Weight: 1866.71 g/mol
• Exact Mass: 1864.61
• IUPAC Name: 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1.c1cc2cc(OCCN3CCOCC3)cnc2[nH]1
• InChI: InChI=1S/C32H36F3N5O5.C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C13H17N3O2/c1-31(2,3)45-30(42)40(20-21-4-7-23(8-5-21)32(33,34)35)27-9-6-22(17-36-27)28(41)26-19-38-29-25(26)16-24(18-37-29)44-15-12-39-10-13-43-14-11-39;1-18(2,3)27-17(26)24(16-9-6-14(12-25)10-23-16)11-13-4-7-15(8-5-13)19(20,21)22;15-14(16,17)12-4-1-10(2-5-12)7-18-13-6-3-11(9-20)8-19-13;14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;1-2-14-13-11(1)9-12(10-15-13)18-8-5-16-3-6-17-7-4-16/h4-9,16-19,28,41H,10-15,20H2,1-3H3,(H,37,38);4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,18,19);1-6,8H,7H2,(H,18,19);1-2,9-10H,3-8H2,(H,14,15)
• InChIKey: QWFADCCVZZYNIP-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 289.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.71
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?

The IUPAC name of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (CID 160536306) is 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde.

What is the SMILES notation for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?

The canonical SMILES for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(O)c2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1.c1cc2cc(OCCN3CCOCC3)cnc2[nH]1.

What is the InChIKey of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?

The InChIKey is QWFADCCVZZYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5O5.C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C13H17N3O2/c1-31(2,3)45-30(42)40(20-21-4-7-23(8-5-21)32(33,34)35)27-9-6-22(17-36-27)28(41)26-19-38-29-25(26)16-24(18-37-29)44-15-12-39-10-13-43-14-11-39;1-18(2,3)27-17(26)24(16-9-6-14(12-25)10-23-16)11-13-4-7-15(8-5-13)19(20,21)22;15-14(16,17)12-4-1-10(2-5-12)7-18-13-6-3-11(9-20)8-19-13;14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;1-2-14-13-11(1)9-12(10-15-13)18-8-5-16-3-6-17-7-4-16/h4-9,16-19,28,41H,10-15,20H2,1-3H3,(H,37,38);4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,18,19);1-6,8H,7H2,(H,18,19);1-2,9-10H,3-8H2,(H,14,15).

What are the key properties of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?

5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde has a molecular weight of 1866.71 g/mol, XLogP of 19.84, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[5-[hydroxy-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;4-[2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethyl]morpholine;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 160536306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).