N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

C76H71F3N14O11 — CID 159518786

About N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (PubChem CID 159518786) has the molecular formula C76H71F3N14O11 and a molecular weight of 1413.48 g/mol. Its IUPAC name is N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.

Molecular Properties

• Compound Name: N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
• PubChem CID: 159518786
• Molecular Formula: C76H71F3N14O11
• Molecular Weight: 1413.48 g/mol
• Exact Mass: 1412.54
• IUPAC Name: N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
• SMILES: C=Cc1nn(C)c2ccc(C(=O)NC3CC3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)O)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)OCC)c(OC)c12.[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cncc(CO)c3)c2c1OC.[C-]#[N+]c1ccc2n[nH]c(/C=C/c3ccccc3C(F)(F)F)c2c1OC
• InChI: InChI=1S/C18H12F3N3O.C17H14N4O2.C15H17N3O2.C14H16N2O3.C12H12N2O3/c1-22-15-10-9-14-16(17(15)25-2)13(23-24-14)8-7-11-5-3-4-6-12(11)18(19,20)21;1-18-15-6-5-14-16(17(15)23-2)13(20-21-14)4-3-11-7-12(10-22)9-19-8-11;1-4-11-13-12(18(2)17-11)8-7-10(14(13)20-3)15(19)16-9-5-6-9;1-5-10-12-11(16(3)15-10)8-7-9(13(12)18-4)14(17)19-6-2;1-4-8-10-9(14(2)13-8)6-5-7(12(15)16)11(10)17-3/h3-10H,2H3,(H,23,24);3-9,22H,10H2,2H3,(H,20,21);4,7-9H,1,5-6H2,2-3H3,(H,16,19);5,7-8H,1,6H2,2-4H3;4-6H,1H2,2-3H3,(H,15,16)/b8-7+;4-3+
• InChIKey: MBNRTKYSMGFUON-QMFOXHKLSA-N
• XLogP: 14.93
• TPSA: 291.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.48
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?

The IUPAC name of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (CID 159518786) is N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.

What is the SMILES notation for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?

The canonical SMILES for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is C=Cc1nn(C)c2ccc(C(=O)NC3CC3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)O)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)OCC)c(OC)c12.[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cncc(CO)c3)c2c1OC.[C-]#[N+]c1ccc2n[nH]c(/C=C/c3ccccc3C(F)(F)F)c2c1OC.

What is the InChIKey of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?

The InChIKey is MBNRTKYSMGFUON-QMFOXHKLSA-N. The full InChI is InChI=1S/C18H12F3N3O.C17H14N4O2.C15H17N3O2.C14H16N2O3.C12H12N2O3/c1-22-15-10-9-14-16(17(15)25-2)13(23-24-14)8-7-11-5-3-4-6-12(11)18(19,20)21;1-18-15-6-5-14-16(17(15)23-2)13(20-21-14)4-3-11-7-12(10-22)9-19-8-11;1-4-11-13-12(18(2)17-11)8-7-10(14(13)20-3)15(19)16-9-5-6-9;1-5-10-12-11(16(3)15-10)8-7-9(13(12)18-4)14(17)19-6-2;1-4-8-10-9(14(2)13-8)6-5-7(12(15)16)11(10)17-3/h3-10H,2H3,(H,23,24);3-9,22H,10H2,2H3,(H,20,21);4,7-9H,1,5-6H2,2-3H3,(H,16,19);5,7-8H,1,6H2,2-4H3;4-6H,1H2,2-3H3,(H,15,16)/b8-7+;4-3+;;;.

What are the key properties of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?

N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole has a molecular weight of 1413.48 g/mol, XLogP of 14.93, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is sourced from PubChem (CID 159518786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).