5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile

C64H57N19O7 — CID 159747957

About 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile

5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile (PubChem CID 159747957) has the molecular formula C64H57N19O7 and a molecular weight of 1204.29 g/mol. Its IUPAC name is 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
• PubChem CID: 159747957
• Molecular Formula: C64H57N19O7
• Molecular Weight: 1204.29 g/mol
• Exact Mass: 1203.47
• IUPAC Name: 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
• SMILES: CON(C)C(=O)c1n[nH]c2ccc(C=O)cc12.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]nc(C(=O)N(C)OC)c2c1.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2n[nH]c(C=O)c2c1.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2n[nH]c(CO)c2c1
• InChI: InChI=1S/C19H18N6O2.C17H15N5O.C17H13N5O.C11H11N3O3/c1-10-14(9-20)16(17(21-3)11(2)22-10)12-6-7-15-13(8-12)18(24-23-15)19(26)25(4)27-5;2*1-9-13(7-18)16(17(19-3)10(2)20-9)11-4-5-14-12(6-11)15(8-23)22-21-14;1-14(17-2)11(16)10-8-5-7(6-15)3-4-9(8)12-13-10/h6-8,16,22H,1-2,4-5H3,(H,23,24);4-6,16,20,23H,8H2,1-2H3,(H,21,22);4-6,8,16,20H,1-2H3,(H,21,22);3-6H,1-2H3,(H,12,13)
• InChIKey: NDHDWMFAYCZGPV-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 348.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1204.29
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile?

The IUPAC name of 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile (CID 159747957) is 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile.

What is the SMILES notation for 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile?

The canonical SMILES for 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile is CON(C)C(=O)c1n[nH]c2ccc(C=O)cc12.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]nc(C(=O)N(C)OC)c2c1.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2n[nH]c(C=O)c2c1.[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2n[nH]c(CO)c2c1.

What is the InChIKey of 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile?

The InChIKey is NDHDWMFAYCZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2.C17H15N5O.C17H13N5O.C11H11N3O3/c1-10-14(9-20)16(17(21-3)11(2)22-10)12-6-7-15-13(8-12)18(24-23-15)19(26)25(4)27-5;2*1-9-13(7-18)16(17(19-3)10(2)20-9)11-4-5-14-12(6-11)15(8-23)22-21-14;1-14(17-2)11(16)10-8-5-7(6-15)3-4-9(8)12-13-10/h6-8,16,22H,1-2,4-5H3,(H,23,24);4-6,16,20,23H,8H2,1-2H3,(H,21,22);4-6,8,16,20H,1-2H3,(H,21,22);3-6H,1-2H3,(H,12,13).

What are the key properties of 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile?

5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 1204.29 g/mol, XLogP of 9.54, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 159747957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).