N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C96H101Br2F3N18O10 — CID 159892056

About N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 159892056) has the molecular formula C96H101Br2F3N18O10 and a molecular weight of 1883.78 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• PubChem CID: 159892056
• Molecular Formula: C96H101Br2F3N18O10
• Molecular Weight: 1883.78 g/mol
• Exact Mass: 1880.63
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.COc1cc2c(Nc3ccc(Br)cc3F)nncc2cc1OCC1CCN(C)CC1.COc1cc2c(Nc3ccc(Br)cc3F)nncc2cc1OCCN1C=CNN1.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O.Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
• InChI: InChI=1S/C22H24BrFN4O2.C22H27FN4O2.C19H18BrFN6O2.C18H18N2O3.C15H14N2O/c1-28-7-5-14(6-8-28)13-30-21-9-15-12-25-27-22(17(15)11-20(21)29-2)26-19-4-3-16(23)10-18(19)24;1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-28-17-10-14-12(8-18(17)29-7-6-27-5-4-22-26-27)11-23-25-19(14)24-16-3-2-13(20)9-15(16)21;1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23;1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,26,27);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2-5,8-11,22,26H,6-7H2,1H3,(H,24,25);3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22);3-8,16H,1-2H3,(H,17,18)/b;17-12-;;14-9-;12-8-
• InChIKey: NUWLGLQIVVQHBD-ZYSCHEJRSA-N
• XLogP: 18.06
• TPSA: 347.39 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.78
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 159892056) is N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.COc1cc2c(Nc3ccc(Br)cc3F)nncc2cc1OCC1CCN(C)CC1.COc1cc2c(Nc3ccc(Br)cc3F)nncc2cc1OCCN1C=CNN1.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O.Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.

What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The InChIKey is NUWLGLQIVVQHBD-ZYSCHEJRSA-N. The full InChI is InChI=1S/C22H24BrFN4O2.C22H27FN4O2.C19H18BrFN6O2.C18H18N2O3.C15H14N2O/c1-28-7-5-14(6-8-28)13-30-21-9-15-12-25-27-22(17(15)11-20(21)29-2)26-19-4-3-16(23)10-18(19)24;1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-28-17-10-14-12(8-18(17)29-7-6-27-5-4-22-26-27)11-23-25-19(14)24-16-3-2-13(20)9-15(16)21;1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23;1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-4,9-12,14H,5-8,13H2,1-2H3,(H,26,27);7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2-5,8-11,22,26H,6-7H2,1H3,(H,24,25);3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22);3-8,16H,1-2H3,(H,17,18)/b;17-12-;;14-9-;12-8-.

What are the key properties of N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 1883.78 g/mol, XLogP of 18.06, 25 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-fluorophenyl)-6-[2-(1,2-dihydrotriazol-3-yl)ethoxy]-7-methoxyphthalazin-1-amine;N-(4-bromo-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]phthalazin-1-amine;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 159892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).