2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine

C60H71F6N9O5 — CID 158555400

About 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine

2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (PubChem CID 158555400) has the molecular formula C60H71F6N9O5 and a molecular weight of 1112.27 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
• PubChem CID: 158555400
• Molecular Formula: C60H71F6N9O5
• Molecular Weight: 1112.27 g/mol
• Exact Mass: 1111.55
• IUPAC Name: 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
• SMILES: C.CCc1nc2n(c1C(=O)CCc1ccc(N3CC4(C3)CN(c3ccc(OC(F)(F)F)cc3)C4)cc1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1
• InChI: InChI=1S/C30H33F3N4O2.C19H20F3N3O.C10H14N2O2.CH4/c1-2-25-28(37-16-4-3-5-27(37)34-25)26(38)15-8-21-6-9-22(10-7-21)35-17-29(18-35)19-36(20-29)23-11-13-24(14-12-23)39-30(31,32)33;20-19(21,22)26-17-7-5-16(6-8-17)25-12-18(13-25)10-24(11-18)15-3-1-14(9-23)2-4-15;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7;/h6-7,9-14H,2-5,8,15-20H2,1H3;1-8H,9-13,23H2;2-6H2,1H3,(H,13,14);1H4
• InChIKey: HQFPNROLACBRCX-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 147.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.27
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	2
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 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?

The IUPAC name of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (CID 158555400) is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine.

What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?

The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is C.CCc1nc2n(c1C(=O)CCc1ccc(N3CC4(C3)CN(c3ccc(OC(F)(F)F)cc3)C4)cc1)CCCC2.CCc1nc2n(c1C(=O)O)CCCC2.NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.

What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?

The InChIKey is HQFPNROLACBRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O2.C19H20F3N3O.C10H14N2O2.CH4/c1-2-25-28(37-16-4-3-5-27(37)34-25)26(38)15-8-21-6-9-22(10-7-21)35-17-29(18-35)19-36(20-29)23-11-13-24(14-12-23)39-30(31,32)33;20-19(21,22)26-17-7-5-16(6-8-17)25-12-18(13-25)10-24(11-18)15-3-1-14(9-23)2-4-15;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7;/h6-7,9-14H,2-5,8,15-20H2,1H3;1-8H,9-13,23H2;2-6H2,1H3,(H,13,14);1H4.

What are the key properties of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?

2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine has a molecular weight of 1112.27 g/mol, XLogP of 11.31, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is sourced from PubChem (CID 158555400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).