6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine

C58H61Cl2F10N9O3S2 — CID 160884005

About 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine

6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine (PubChem CID 160884005) has the molecular formula C58H61Cl2F10N9O3S2 and a molecular weight of 1257.21 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine
• PubChem CID: 160884005
• Molecular Formula: C58H61Cl2F10N9O3S2
• Molecular Weight: 1257.21 g/mol
• Exact Mass: 1255.36
• IUPAC Name: 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine
• SMILES: C.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3)C2)cc1
• InChI: InChI=1S/C29H28ClF5N4OS.C19H21F5N2S.C9H8ClN3O2.CH4/c1-2-25-27(39-16-22(30)15-36-28(39)37-25)26(40)12-5-19-3-8-23(9-4-19)38-17-29(18-38)13-21(14-29)20-6-10-24(11-7-20)41(31,32,33,34)35;20-27(21,22,23,24)18-7-3-15(4-8-18)16-9-19(10-16)12-26(13-19)17-5-1-14(11-25)2-6-17;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-4,6-11,15-16,21H,2,5,12-14,17-18H2,1H3;1-8,16H,9-13,25H2;3-4H,2H2,1H3,(H,14,15);1H4
• InChIKey: SNJYUTZQBGNGMX-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 147.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.21
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine (CID 160884005) is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine.

What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine is C.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(CC(c4ccc(S(F)(F)(F)(F)F)cc4)C3)C2)cc1.

What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

The InChIKey is SNJYUTZQBGNGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF5N4OS.C19H21F5N2S.C9H8ClN3O2.CH4/c1-2-25-27(39-16-22(30)15-36-28(39)37-25)26(40)12-5-19-3-8-23(9-4-19)38-17-29(18-38)13-21(14-29)20-6-10-24(11-7-20)41(31,32,33,34)35;20-27(21,22,23,24)18-7-3-15(4-8-18)16-9-19(10-16)12-26(13-19)17-5-1-14(11-25)2-6-17;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-4,6-11,15-16,21H,2,5,12-14,17-18H2,1H3;1-8,16H,9-13,25H2;3-4H,2H2,1H3,(H,14,15);1H4.

What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine?

6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine has a molecular weight of 1257.21 g/mol, XLogP of 17.27, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;methane;[4-[6-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine is sourced from PubChem (CID 160884005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).