6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine

C90H92Cl2N12O3 — CID 158642882

About 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine (PubChem CID 158642882) has the molecular formula C90H92Cl2N12O3 and a molecular weight of 1460.71 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine
• PubChem CID: 158642882
• Molecular Formula: C90H92Cl2N12O3
• Molecular Weight: 1460.71 g/mol
• Exact Mass: 1458.68
• IUPAC Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1
• InChI: InChI=1S/C29H29ClN4O.C19H18N2.C19H22N2.C13H14N2.C10H9ClN2O2/c1-2-25-27(34-17-23(30)12-13-26(34)32-25)28(35)31-16-20-8-10-21(11-9-20)22-14-29(15-22)18-33(19-29)24-6-4-3-5-7-24;1-20-17-9-7-15(8-10-17)16-11-19(12-16)13-21(14-19)18-5-3-2-4-6-18;20-12-15-6-8-16(9-7-15)17-10-19(11-17)13-21(14-19)18-4-2-1-3-5-18;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h3-13,17,22H,2,14-16,18-19H2,1H3,(H,31,35);2-10,16H,11-14H2;1-9,17H,10-14,20H2;2-5,11,15H,6-9H2;3-5H,2H2,1H3,(H,14,15)
• InChIKey: IAPLMWFZNAHVEN-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 157.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.71
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine (CID 158642882) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine.

What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2ccccc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1.

What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The InChIKey is IAPLMWFZNAHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O.C19H18N2.C19H22N2.C13H14N2.C10H9ClN2O2/c1-2-25-27(34-17-23(30)12-13-26(34)32-25)28(35)31-16-20-8-10-21(11-9-20)22-14-29(15-22)18-33(19-29)24-6-4-3-5-7-24;1-20-17-9-7-15(8-10-17)16-11-19(12-16)13-21(14-19)18-5-3-2-4-6-18;20-12-15-6-8-16(9-7-15)17-10-19(11-17)13-21(14-19)18-4-2-1-3-5-18;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h3-13,17,22H,2,14-16,18-19H2,1H3,(H,31,35);2-10,16H,11-14H2;1-9,17H,10-14,20H2;2-5,11,15H,6-9H2;3-5H,2H2,1H3,(H,14,15).

What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine has a molecular weight of 1460.71 g/mol, XLogP of 18.97, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-phenyl-2-azaspiro[3.3]heptane;[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine is sourced from PubChem (CID 158642882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).