acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline

C155H146F3N39O11 — CID 161135962

About acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline

acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline (PubChem CID 161135962) has the molecular formula C155H146F3N39O11 and a molecular weight of 2788.13 g/mol. Its IUPAC name is acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline.

Molecular Properties

• Compound Name: acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline
• PubChem CID: 161135962
• Molecular Formula: C155H146F3N39O11
• Molecular Weight: 2788.13 g/mol
• Exact Mass: 2786.20
• IUPAC Name: acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline
• SMILES: C.C=CC(=O)Nc1cc(-n2cc(-c3ccc4c(c3)CC/C4=N\C)c(-c3ccncc3)n2)ccn1.CC(=O)O.CC(=O)c1ccc(-n2nc(C)c(C(N)=O)c2N)c(C)n1.CCCn1cc(C(=O)Nc2ccc(-n3nc(N4CCCCC4)cc3C(F)(F)F)cn2)ccc1=O.Cc1cc(-c2ccccc2)nn1-c1ccc(NC(=O)c2cccc(-c3ccc(=O)[nH]c3)c2)nn1.Cc1cc(C)n(-c2cnc3ccccc3c2)n1.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.c1ccc2c(-n3ccc(-c4cnccn4)n3)cncc2c1
• InChI: InChI=1S/C26H20N6O2.C26H22N6O.C23H25F3N6O2.2C17H16N4O.C16H11N5.C14H13N3.C13H15N5O2.C2H4O2.CH4/c1-17-14-22(18-6-3-2-4-7-18)31-32(17)24-12-11-23(29-30-24)28-26(34)20-9-5-8-19(15-20)21-10-13-25(33)27-16-21;1-3-25(33)30-24-15-20(10-13-29-24)32-16-22(26(31-32)17-8-11-28-12-9-17)19-4-6-21-18(14-19)5-7-23(21)27-2;1-2-10-31-15-16(6-9-21(31)33)22(34)28-19-8-7-17(14-27-19)32-18(23(24,25)26)13-20(29-32)30-11-4-3-5-12-30;2*1-11-9-21(10-15(11)17(22)20-12(2)18)14-7-13-5-3-4-6-16(13)19-8-14;1-2-4-13-12(3-1)9-18-11-16(13)21-8-5-14(20-21)15-10-17-6-7-19-15;1-10-7-11(2)17(16-10)13-8-12-5-3-4-6-14(12)15-9-13;1-6-10(5-4-9(16-6)8(3)19)18-12(14)11(13(15)20)7(2)17-18;1-2(3)4;/h2-16H,1H3,(H,27,33)(H,28,29,34);3-4,6,8-16H,1,5,7H2,2H3,(H,29,30,33);6-9,13-15H,2-5,10-12H2,1H3,(H,27,28,34);2*3-10H,1-2H3,(H2,18,20,22);1-11H;3-9H,1-2H3;4-5H,14H2,1-3H3,(H2,15,20);1H3,(H,3,4);1H4/b;27-23+
• InChIKey: IZBYRJYTSCPZGM-PPEZFADNSA-N
• XLogP: 26.36
• TPSA: 658.60 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2788.13
LogP ≤ 5	26.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline?

The IUPAC name of acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline (CID 161135962) is acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline.

What is the SMILES notation for acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline?

The canonical SMILES for acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline is C.C=CC(=O)Nc1cc(-n2cc(-c3ccc4c(c3)CC/C4=N\C)c(-c3ccncc3)n2)ccn1.CC(=O)O.CC(=O)c1ccc(-n2nc(C)c(C(N)=O)c2N)c(C)n1.CCCn1cc(C(=O)Nc2ccc(-n3nc(N4CCCCC4)cc3C(F)(F)F)cn2)ccc1=O.Cc1cc(-c2ccccc2)nn1-c1ccc(NC(=O)c2cccc(-c3ccc(=O)[nH]c3)c2)nn1.Cc1cc(C)n(-c2cnc3ccccc3c2)n1.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.c1ccc2c(-n3ccc(-c4cnccn4)n3)cncc2c1.

What is the InChIKey of acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline?

The InChIKey is IZBYRJYTSCPZGM-PPEZFADNSA-N. The full InChI is InChI=1S/C26H20N6O2.C26H22N6O.C23H25F3N6O2.2C17H16N4O.C16H11N5.C14H13N3.C13H15N5O2.C2H4O2.CH4/c1-17-14-22(18-6-3-2-4-7-18)31-32(17)24-12-11-23(29-30-24)28-26(34)20-9-5-8-19(15-20)21-10-13-25(33)27-16-21;1-3-25(33)30-24-15-20(10-13-29-24)32-16-22(26(31-32)17-8-11-28-12-9-17)19-4-6-21-18(14-19)5-7-23(21)27-2;1-2-10-31-15-16(6-9-21(31)33)22(34)28-19-8-7-17(14-27-19)32-18(23(24,25)26)13-20(29-32)30-11-4-3-5-12-30;2*1-11-9-21(10-15(11)17(22)20-12(2)18)14-7-13-5-3-4-6-16(13)19-8-14;1-2-4-13-12(3-1)9-18-11-16(13)21-8-5-14(20-21)15-10-17-6-7-19-15;1-10-7-11(2)17(16-10)13-8-12-5-3-4-6-14(12)15-9-13;1-6-10(5-4-9(16-6)8(3)19)18-12(14)11(13(15)20)7(2)17-18;1-2(3)4;/h2-16H,1H3,(H,27,33)(H,28,29,34);3-4,6,8-16H,1,5,7H2,2H3,(H,29,30,33);6-9,13-15H,2-5,10-12H2,1H3,(H,27,28,34);2*3-10H,1-2H3,(H2,18,20,22);1-11H;3-9H,1-2H3;4-5H,14H2,1-3H3,(H2,15,20);1H3,(H,3,4);1H4/b;27-23+;;;;;;;;.

What are the key properties of acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline?

acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline has a molecular weight of 2788.13 g/mol, XLogP of 26.36, 26 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 161135962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).