5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide

C68H75F6N15O9 — CID 159664272

About 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide

5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide (PubChem CID 159664272) has the molecular formula C68H75F6N15O9 and a molecular weight of 1360.43 g/mol. Its IUPAC name is 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide
• PubChem CID: 159664272
• Molecular Formula: C68H75F6N15O9
• Molecular Weight: 1360.43 g/mol
• Exact Mass: 1359.58
• IUPAC Name: 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1CC2(CC(n3nc(-c4ccc(OCCC)c(F)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4ccc(OCCC)c(F)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CCC2(CC(n3nc(-c4ccc(F)c(OCC(F)(F)F)c4)c(C(N)=O)c3N)C2)C1
• InChI: InChI=1S/C23H23F4N5O3.C23H26FN5O3.C22H26FN5O3/c1-2-3-17(33)31-7-6-22(11-31)9-14(10-22)32-20(28)18(21(29)34)19(30-32)13-4-5-15(24)16(8-13)35-12-23(25,26)27;1-3-5-18(30)28-12-23(13-28)10-15(11-23)29-21(25)19(22(26)31)20(27-29)14-6-7-17(16(24)9-14)32-8-4-2;1-3-7-31-16-6-5-13(8-15(16)23)19-18(21(25)30)20(24)28(26-19)14-9-22(10-14)11-27(12-22)17(29)4-2/h4-5,8,14H,6-7,9-12,28H2,1H3,(H2,29,34);6-7,9,15H,4,8,10-13,25H2,1-2H3,(H2,26,31);4-6,8,14H,2-3,7,9-12,24H2,1H3,(H2,25,30)
• InChIKey: MTEXLMVNJVOABK-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 349.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1360.43
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide (CID 159664272) is 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide is C=CC(=O)N1CC2(CC(n3nc(-c4ccc(OCCC)c(F)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4ccc(OCCC)c(F)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CCC2(CC(n3nc(-c4ccc(F)c(OCC(F)(F)F)c4)c(C(N)=O)c3N)C2)C1.

What is the InChIKey of 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide?

The InChIKey is MTEXLMVNJVOABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O3.C23H26FN5O3.C22H26FN5O3/c1-2-3-17(33)31-7-6-22(11-31)9-14(10-22)32-20(28)18(21(29)34)19(30-32)13-4-5-15(24)16(8-13)35-12-23(25,26)27;1-3-5-18(30)28-12-23(13-28)10-15(11-23)29-21(25)19(22(26)31)20(27-29)14-6-7-17(16(24)9-14)32-8-4-2;1-3-7-31-16-6-5-13(8-15(16)23)19-18(21(25)30)20(24)28(26-19)14-9-22(10-14)11-27(12-22)17(29)4-2/h4-5,8,14H,6-7,9-12,28H2,1H3,(H2,29,34);6-7,9,15H,4,8,10-13,25H2,1-2H3,(H2,26,31);4-6,8,14H,2-3,7,9-12,24H2,1H3,(H2,25,30).

What are the key properties of 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide?

5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide has a molecular weight of 1360.43 g/mol, XLogP of 7.74, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-(3-fluoro-4-propoxyphenyl)pyrazole-4-carboxamide;5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide;5-amino-3-(3-fluoro-4-propoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 159664272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).