N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C108H125BrCl2N22O10 — CID 159810800

About N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 159810800) has the molecular formula C108H125BrCl2N22O10 and a molecular weight of 2042.14 g/mol. Its IUPAC name is N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

• Compound Name: N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
• PubChem CID: 159810800
• Molecular Formula: C108H125BrCl2N22O10
• Molecular Weight: 2042.14 g/mol
• Exact Mass: 2038.85
• IUPAC Name: N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
• SMILES: CC(=O)N1CC2(C1)CN(c1ccc(CN)cc1)C2.CC(C)(C)OC(=O)N1CC2(CNC2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CN(C(C)=O)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.N#Cc1ccc(Br)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(C)=O)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CNC3)C2)cc1
• InChI: InChI=1S/C24H26ClN5O2.C17H21N3O2.C14H15N3O.C14H19N3O.C12H13N3.C10H9ClN2O2.C10H18N2O2.C7H4BrN/c1-3-20-22(30-11-18(25)6-9-21(30)27-20)23(32)26-10-17-4-7-19(8-5-17)29-14-24(15-29)12-28(13-24)16(2)31;1-16(2,3)22-15(21)20-11-17(12-20)9-19(10-17)14-7-5-13(18-4)6-8-14;1-11(18)16-7-14(8-16)9-17(10-14)13-5-3-12(15-2)4-6-13;1-11(18)16-7-14(8-16)9-17(10-14)13-4-2-12(6-15)3-5-13;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;1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;8-7-3-1-6(5-9)2-4-7/h4-9,11H,3,10,12-15H2,1-2H3,(H,26,32);5-8H,9-12H2,1-3H3;3-6H,7-10H2,1H3;2-5H,6-10,15H2,1H3;2-5,14H,6-9H2;3-5H,2H2,1H3,(H,14,15);11H,4-7H2,1-3H3;1-4H
• InChIKey: NKZNBRLIAXGEDP-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 324.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.14
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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 N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?

The IUPAC name of N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 159810800) is N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

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

The canonical SMILES for N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is CC(=O)N1CC2(C1)CN(c1ccc(CN)cc1)C2.CC(C)(C)OC(=O)N1CC2(CNC2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(CN(C(C)=O)C3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.N#Cc1ccc(Br)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CN(C(C)=O)C3)C2)cc1.[C-]#[N+]c1ccc(N2CC3(CNC3)C2)cc1.

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

The InChIKey is NKZNBRLIAXGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2.C17H21N3O2.C14H15N3O.C14H19N3O.C12H13N3.C10H9ClN2O2.C10H18N2O2.C7H4BrN/c1-3-20-22(30-11-18(25)6-9-21(30)27-20)23(32)26-10-17-4-7-19(8-5-17)29-14-24(15-29)12-28(13-24)16(2)31;1-16(2,3)22-15(21)20-11-17(12-20)9-19(10-17)14-7-5-13(18-4)6-8-14;1-11(18)16-7-14(8-16)9-17(10-14)13-5-3-12(15-2)4-6-13;1-11(18)16-7-14(8-16)9-17(10-14)13-4-2-12(6-15)3-5-13;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;1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;8-7-3-1-6(5-9)2-4-7/h4-9,11H,3,10,12-15H2,1-2H3,(H,26,32);5-8H,9-12H2,1-3H3;3-6H,7-10H2,1H3;2-5H,6-10,15H2,1H3;2-5,14H,6-9H2;3-5H,2H2,1H3,(H,14,15);11H,4-7H2,1-3H3;1-4H.

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

N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 2042.14 g/mol, XLogP of 16.21, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;1-[6-[4-(aminomethyl)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone;4-bromobenzonitrile;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;2-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptane;1-[6-(4-isocyanophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 159810800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).