[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone

C89H88Cl2N16O6 — CID 159546299

About [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone

[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone (PubChem CID 159546299) has the molecular formula C89H88Cl2N16O6 and a molecular weight of 1548.69 g/mol. Its IUPAC name is [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone
• PubChem CID: 159546299
• Molecular Formula: C89H88Cl2N16O6
• Molecular Weight: 1548.69 g/mol
• Exact Mass: 1546.64
• IUPAC Name: [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CNC3)C2)cc1
• InChI: InChI=1S/C29H28ClN5O2.C19H17N3O.C19H21N3O.C12H13N3.C10H9ClN2O2/c1-2-24-26(35-15-22(30)10-13-25(35)32-24)27(36)31-14-20-8-11-23(12-9-20)33-16-29(17-33)18-34(19-29)28(37)21-6-4-3-5-7-21;1-20-16-7-9-17(10-8-16)21-11-19(12-21)13-22(14-19)18(23)15-5-3-2-4-6-15;20-10-15-6-8-17(9-7-15)21-11-19(12-21)13-22(14-19)18(23)16-4-2-1-3-5-16;1-13-10-2-4-11(5-3-10)15-8-12(9-15)6-14-7-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h3-13,15H,2,14,16-19H2,1H3,(H,31,36);2-10H,11-14H2;1-9H,10-14,20H2;2-5,14H,6-9H2;3-5H,2H2,1H3,(H,14,15)
• InChIKey: MEVIMZSPVCMFNN-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 221.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.69
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone (CID 159546299) is [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone.

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

The canonical SMILES for [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(=O)c4ccccc4)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CNC3)C2)cc1.

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

The InChIKey is MEVIMZSPVCMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O2.C19H17N3O.C19H21N3O.C12H13N3.C10H9ClN2O2/c1-2-24-26(35-15-22(30)10-13-25(35)32-24)27(36)31-14-20-8-11-23(12-9-20)33-16-29(17-33)18-34(19-29)28(37)21-6-4-3-5-7-21;1-20-16-7-9-17(10-8-16)21-11-19(12-21)13-22(14-19)18(23)15-5-3-2-4-6-15;20-10-15-6-8-17(9-7-15)21-11-19(12-21)13-22(14-19)18(23)16-4-2-1-3-5-16;1-13-10-2-4-11(5-3-10)15-8-12(9-15)6-14-7-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h3-13,15H,2,14,16-19H2,1H3,(H,31,36);2-10H,11-14H2;1-9H,10-14,20H2;2-5,14H,6-9H2;3-5H,2H2,1H3,(H,14,15).

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

[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone has a molecular weight of 1548.69 g/mol, XLogP of 13.65, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone;N-[[4-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-phenylmethanone is sourced from PubChem (CID 159546299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).