5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one

C114H113FN24O12 — CID 158791409

About 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one

5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one (PubChem CID 158791409) has the molecular formula C114H113FN24O12 and a molecular weight of 2030.31 g/mol. Its IUPAC name is 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one.

Molecular Properties

• Compound Name: 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
• PubChem CID: 158791409
• Molecular Formula: C114H113FN24O12
• Molecular Weight: 2030.31 g/mol
• Exact Mass: 2028.90
• IUPAC Name: 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
• SMILES: C=CC(=O)N1CC(n2c3cc(-c4c(C)ccc5[nH]ncc45)ccc3c(=O)n2C)C1.C=CC(=O)N1CCC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1.C=CC(=O)N1CCC(n2c3ccc(-c4c(O)cccc4F)cc3c(=O)n2C)CC1.C=CC(=O)N1CCCC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1.C=CC(=O)N1CCCC(N2Cc3cncc(Nc4cc(O)cc5ccccc45)c3C2=O)C1
• InChI: InChI=1S/C25H24N4O3.C23H24N6O2.C22H22FN3O3.C22H22N6O2.C22H21N5O2/c1-2-23(31)28-9-5-7-18(15-28)29-14-17-12-26-13-22(24(17)25(29)32)27-21-11-19(30)10-16-6-3-4-8-20(16)21;1-3-20(30)28-8-4-5-16(13-28)29-12-15-9-24-11-19(21(15)23(29)31)26-22-14(2)6-7-18-17(22)10-25-27-18;1-3-20(28)25-11-9-15(10-12-25)26-18-8-7-14(13-16(18)22(29)24(26)2)21-17(23)5-4-6-19(21)27;1-3-19(29)27-7-6-15(12-27)28-11-14-8-23-10-18(20(14)22(28)30)25-21-13(2)4-5-17-16(21)9-24-26-17;1-4-20(28)26-11-15(12-26)27-19-9-14(6-7-16(19)22(29)25(27)3)21-13(2)5-8-18-17(21)10-23-24-18/h2-4,6,8,10-13,18,27,30H,1,5,7,9,14-15H2;3,6-7,9-11,16,26H,1,4-5,8,12-13H2,2H3,(H,25,27);3-8,13,15,27H,1,9-12H2,2H3;3-5,8-10,15,25H,1,6-7,11-12H2,2H3,(H,24,26);4-10,15H,1,11-12H2,2-3H3,(H,23,24)
• InChIKey: ISHZPPSIDPQAHQ-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 417.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.31
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one?

The IUPAC name of 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one (CID 158791409) is 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one.

What is the SMILES notation for 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one?

The canonical SMILES for 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one is C=CC(=O)N1CC(n2c3cc(-c4c(C)ccc5[nH]ncc45)ccc3c(=O)n2C)C1.C=CC(=O)N1CCC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1.C=CC(=O)N1CCC(n2c3ccc(-c4c(O)cccc4F)cc3c(=O)n2C)CC1.C=CC(=O)N1CCCC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1.C=CC(=O)N1CCCC(N2Cc3cncc(Nc4cc(O)cc5ccccc45)c3C2=O)C1.

What is the InChIKey of 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one?

The InChIKey is ISHZPPSIDPQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.C23H24N6O2.C22H22FN3O3.C22H22N6O2.C22H21N5O2/c1-2-23(31)28-9-5-7-18(15-28)29-14-17-12-26-13-22(24(17)25(29)32)27-21-11-19(30)10-16-6-3-4-8-20(16)21;1-3-20(30)28-8-4-5-16(13-28)29-12-15-9-24-11-19(21(15)23(29)31)26-22-14(2)6-7-18-17(22)10-25-27-18;1-3-20(28)25-11-9-15(10-12-25)26-18-8-7-14(13-16(18)22(29)24(26)2)21-17(23)5-4-6-19(21)27;1-3-19(29)27-7-6-15(12-27)28-11-14-8-23-10-18(20(14)22(28)30)25-21-13(2)4-5-17-16(21)9-24-26-17;1-4-20(28)26-11-15(12-26)27-19-9-14(6-7-16(19)22(29)25(27)3)21-13(2)5-8-18-17(21)10-23-24-18/h2-4,6,8,10-13,18,27,30H,1,5,7,9,14-15H2;3,6-7,9-11,16,26H,1,4-5,8,12-13H2,2H3,(H,25,27);3-8,13,15,27H,1,9-12H2,2H3;3-5,8-10,15,25H,1,6-7,11-12H2,2H3,(H,24,26);4-10,15H,1,11-12H2,2-3H3,(H,23,24).

What are the key properties of 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one?

5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one has a molecular weight of 2030.31 g/mol, XLogP of 15.67, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one is sourced from PubChem (CID 158791409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).