N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide

C106H99F3N28O15 — CID 158936151

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 158936151) has the molecular formula C106H99F3N28O15 and a molecular weight of 2062.13 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 158936151
• Molecular Formula: C106H99F3N28O15
• Molecular Weight: 2062.13 g/mol
• Exact Mass: 2060.78
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncn2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(Cn2ncc3cnccc32)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CC2(CC2)CN1c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(C(F)(F)F)cnn1-c1ncccn1.[C-]#[N+]c1ccc(-c2nn(C3CC3)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1
• InChI: InChI=1S/C23H20N6O3.C23H25N3O3.C22H21N7O3.C19H15F3N6O3.C19H18N6O3/c1-25-19-10-7-15(12-26-19)20-17(13-29(28-20)16-8-9-16)23(32)27-18(21(30)22(24)31)11-14-5-3-2-4-6-14;24-21(28)20(27)18(13-16-7-3-1-4-8-16)25-22(29)19-14-23(11-12-23)15-26(19)17-9-5-2-6-10-17;1-28-12-16(18(27-28)13-29-19-7-8-24-10-15(19)11-25-29)22(32)26-17(20(30)21(23)31)9-14-5-3-2-4-6-14;20-19(21,22)12-10-26-28(18-24-7-4-8-25-18)14(12)17(31)27-13(15(29)16(23)30)9-11-5-2-1-3-6-11;1-12-9-15(25(24-12)16-7-8-21-11-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13/h2-7,10,12-13,16,18H,8-9,11H2,(H2,24,31)(H,27,32);1-10,18-19H,11-15H2,(H2,24,28)(H,25,29);2-8,10-12,17H,9,13H2,1H3,(H2,23,31)(H,26,32);1-8,10,13H,9H2,(H2,23,30)(H,27,31);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28)/t;18?,19-;;;/m.0.../s1
• InChIKey: JJRBSPATESVISD-LVLXTFQMSA-N
• XLogP: 6.11
• TPSA: 620.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.13
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 158936151) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncn2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(Cn2ncc3cnccc32)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CC2(CC2)CN1c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(C(F)(F)F)cnn1-c1ncccn1.[C-]#[N+]c1ccc(-c2nn(C3CC3)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is JJRBSPATESVISD-LVLXTFQMSA-N. The full InChI is InChI=1S/C23H20N6O3.C23H25N3O3.C22H21N7O3.C19H15F3N6O3.C19H18N6O3/c1-25-19-10-7-15(12-26-19)20-17(13-29(28-20)16-8-9-16)23(32)27-18(21(30)22(24)31)11-14-5-3-2-4-6-14;24-21(28)20(27)18(13-16-7-3-1-4-8-16)25-22(29)19-14-23(11-12-23)15-26(19)17-9-5-2-6-10-17;1-28-12-16(18(27-28)13-29-19-7-8-24-10-15(19)11-25-29)22(32)26-17(20(30)21(23)31)9-14-5-3-2-4-6-14;20-19(21,22)12-10-26-28(18-24-7-4-8-25-18)14(12)17(31)27-13(15(29)16(23)30)9-11-5-2-1-3-6-11;1-12-9-15(25(24-12)16-7-8-21-11-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13/h2-7,10,12-13,16,18H,8-9,11H2,(H2,24,31)(H,27,32);1-10,18-19H,11-15H2,(H2,24,28)(H,25,29);2-8,10-12,17H,9,13H2,1H3,(H2,23,31)(H,26,32);1-8,10,13H,9H2,(H2,23,30)(H,27,31);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28)/t;18?,19-;;;/m.0.../s1.

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 2062.13 g/mol, XLogP of 6.11, 37 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 158936151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).