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

C60H74F6N10O5 — CID 158995908

About 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (PubChem CID 158995908) has the molecular formula C60H74F6N10O5 and a molecular weight of 1129.30 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
• PubChem CID: 158995908
• Molecular Formula: C60H74F6N10O5
• Molecular Weight: 1129.30 g/mol
• Exact Mass: 1128.57
• IUPAC Name: 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
• SMILES: C.C.CCc1nc2n(c1C(=O)NCc1ccc(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/C29H32F3N5O2.C19H20F3N3O.C10H14N2O2.2CH4/c1-2-24-26(37-14-4-3-5-25(37)34-24)27(38)33-15-20-6-8-21(9-7-20)35-16-28(17-35)18-36(19-28)22-10-12-23(13-11-22)39-29(30,31)32;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;;/h6-13H,2-5,14-19H2,1H3,(H,33,38);1-8H,9-13,23H2;2-6H2,1H3,(H,13,14);2*1H4
• InChIKey: JQSULNGZEUQBCI-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 159.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.30
LogP ≤ 5	11.06
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 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (CID 158995908) is 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is C.C.CCc1nc2n(c1C(=O)NCc1ccc(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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?

The InChIKey is JQSULNGZEUQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O2.C19H20F3N3O.C10H14N2O2.2CH4/c1-2-24-26(37-14-4-3-5-25(37)34-24)27(38)33-15-20-6-8-21(9-7-20)35-16-28(17-35)18-36(19-28)22-10-12-23(13-11-22)39-29(30,31)32;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;;/h6-13H,2-5,14-19H2,1H3,(H,33,38);1-8H,9-13,23H2;2-6H2,1H3,(H,13,14);2*1H4.

What are the key properties of 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine has a molecular weight of 1129.30 g/mol, XLogP of 11.06, 13 rotatable bonds, 3 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;2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is sourced from PubChem (CID 158995908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).