N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C56H66F6N10O5 — CID 157304684

About N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 157304684) has the molecular formula C56H66F6N10O5 and a molecular weight of 1073.20 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 157304684
• Molecular Formula: C56H66F6N10O5
• Molecular Weight: 1073.20 g/mol
• Exact Mass: 1072.51
• IUPAC Name: N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CCc1nc2n(c1C(=O)NCc1ccc(N(C)C3CN(c4ccc(OC(F)(F)F)cc4)C3)cc1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.CN(c1ccc(CN)cc1)C1CN(c2ccc(OC(F)(F)F)cc2)C1
• InChI: InChI=1S/C28H32F3N5O2.C18H20F3N3O.C10H14N2O2/c1-3-24-26(36-15-5-4-6-25(36)33-24)27(37)32-16-19-7-9-20(10-8-19)34(2)22-17-35(18-22)21-11-13-23(14-12-21)38-28(29,30)31;1-23(14-4-2-13(10-22)3-5-14)16-11-24(12-16)15-6-8-17(9-7-15)25-18(19,20)21;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7/h7-14,22H,3-6,15-18H2,1-2H3,(H,32,37);2-9,16H,10-12,22H2,1H3;2-6H2,1H3,(H,13,14)
• InChIKey: BCHWMAXSNWQARG-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 159.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.20
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 157304684) is N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CCc1nc2n(c1C(=O)NCc1ccc(N(C)C3CN(c4ccc(OC(F)(F)F)cc4)C3)cc1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.CN(c1ccc(CN)cc1)C1CN(c2ccc(OC(F)(F)F)cc2)C1.

What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is BCHWMAXSNWQARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O2.C18H20F3N3O.C10H14N2O2/c1-3-24-26(36-15-5-4-6-25(36)33-24)27(37)32-16-19-7-9-20(10-8-19)34(2)22-17-35(18-22)21-11-13-23(14-12-21)38-28(29,30)31;1-23(14-4-2-13(10-22)3-5-14)16-11-24(12-16)15-6-8-17(9-7-15)25-18(19,20)21;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7/h7-14,22H,3-6,15-18H2,1-2H3,(H,32,37);2-9,16H,10-12,22H2,1H3;2-6H2,1H3,(H,13,14).

What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?

N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 1073.20 g/mol, XLogP of 9.78, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 157304684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).