4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one

C124H128N24O10 — CID 158448398

IUPAC4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3c(CN(C)C)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(NC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3C3CCC3)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N(C)C)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N3CCCC3)C2=O)C1
InChIInChI=1S/C26H27N5O2.C26H26N4O2.C25H27N5O2.C24H25N5O2.C23H23N5O2/c1-3-24(32)30-13-18(14-30)31-15-21-19(26(31)33)10-17(11-23(21)29-8-4-5-9-29)25-16(2)6-7-22-20(25)12-27-28-22;1-3-24(31)29-12-18(13-29)30-14-22-19(16-5-4-6-16)9-17(10-20(22)26(30)32)25-15(2)7-8-23-21(25)11-27-28-23;1-5-23(31)29-12-18(13-29)30-14-21-17(11-28(3)4)8-16(9-19(21)25(30)32)24-15(2)6-7-22-20(24)10-26-27-22;1-5-22(30)28-11-16(12-28)29-13-19-17(24(29)31)8-15(9-21(19)27(3)4)23-14(2)6-7-20-18(23)10-25-26-20;1-4-21(29)27-10-15(11-27)28-12-18-16(23(28)30)7-14(8-20(18)24-3)22-13(2)5-6-19-17(22)9-25-26-19/h3,6-7,10-12,18H,1,4-5,8-9,13-15H2,2H3,(H,27,28);3,7-11,16,18H,1,4-6,12-14H2,2H3,(H,27,28);5-10,18H,1,11-14H2,2-4H3,(H,26,27);5-10,16H,1,11-13H2,2-4H3,(H,25,26);4-9,15,24H,1,10-12H2,2-3H3,(H,25,26)
InChIKeyHDRFVQHAFQAZIL-UHFFFAOYSA-N
MW2114.55 g/mol
LogP16.49
Rot. Bonds21

About 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one

4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one (PubChem CID 158448398) has the molecular formula C124H128N24O10 and a molecular weight of 2114.55 g/mol. Its IUPAC name is 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one
PubChem CID158448398
Molecular FormulaC124H128N24O10
Molecular Weight2114.55 g/mol
Exact Mass2113.02
IUPAC Name4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3c(CN(C)C)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(NC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3C3CCC3)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N(C)C)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N3CCCC3)C2=O)C1
InChIInChI=1S/C26H27N5O2.C26H26N4O2.C25H27N5O2.C24H25N5O2.C23H23N5O2/c1-3-24(32)30-13-18(14-30)31-15-21-19(26(31)33)10-17(11-23(21)29-8-4-5-9-29)25-16(2)6-7-22-20(25)12-27-28-22;1-3-24(31)29-12-18(13-29)30-14-22-19(16-5-4-6-16)9-17(10-20(22)26(30)32)25-15(2)7-8-23-21(25)11-27-28-23;1-5-23(31)29-12-18(13-29)30-14-21-17(11-28(3)4)8-16(9-19(21)25(30)32)24-15(2)6-7-22-20(24)10-26-27-22;1-5-22(30)28-11-16(12-28)29-13-19-17(24(29)31)8-15(9-21(19)27(3)4)23-14(2)6-7-20-18(23)10-25-26-20;1-4-21(29)27-10-15(11-27)28-12-18-16(23(28)30)7-14(8-20(18)24-3)22-13(2)5-6-19-17(22)9-25-26-19/h3,6-7,10-12,18H,1,4-5,8-9,13-15H2,2H3,(H,27,28);3,7-11,16,18H,1,4-6,12-14H2,2H3,(H,27,28);5-10,18H,1,11-14H2,2-4H3,(H,26,27);5-10,16H,1,11-13H2,2-4H3,(H,25,26);4-9,15,24H,1,10-12H2,2-3H3,(H,25,26)
InChIKeyHDRFVQHAFQAZIL-UHFFFAOYSA-N
XLogP16.49
TPSA368.25 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002114.55
LogP ≤ 516.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one?
The IUPAC name of 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one (CID 158448398) is 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one?
The canonical SMILES for 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one is C=CC(=O)N1CC(N2Cc3c(CN(C)C)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(NC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3C3CCC3)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N(C)C)C2=O)C1.C=CC(=O)N1CC(N2Cc3c(cc(-c4c(C)ccc5[nH]ncc45)cc3N3CCCC3)C2=O)C1.
What is the InChIKey of 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one?
The InChIKey is HDRFVQHAFQAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.C26H26N4O2.C25H27N5O2.C24H25N5O2.C23H23N5O2/c1-3-24(32)30-13-18(14-30)31-15-21-19(26(31)33)10-17(11-23(21)29-8-4-5-9-29)25-16(2)6-7-22-20(25)12-27-28-22;1-3-24(31)29-12-18(13-29)30-14-22-19(16-5-4-6-16)9-17(10-20(22)26(30)32)25-15(2)7-8-23-21(25)11-27-28-23;1-5-23(31)29-12-18(13-29)30-14-21-17(11-28(3)4)8-16(9-19(21)25(30)32)24-15(2)6-7-22-20(24)10-26-27-22;1-5-22(30)28-11-16(12-28)29-13-19-17(24(29)31)8-15(9-21(19)27(3)4)23-14(2)6-7-20-18(23)10-25-26-20;1-4-21(29)27-10-15(11-27)28-12-18-16(23(28)30)7-14(8-20(18)24-3)22-13(2)5-6-19-17(22)9-25-26-19/h3,6-7,10-12,18H,1,4-5,8-9,13-15H2,2H3,(H,27,28);3,7-11,16,18H,1,4-6,12-14H2,2H3,(H,27,28);5-10,18H,1,11-14H2,2-4H3,(H,26,27);5-10,16H,1,11-13H2,2-4H3,(H,25,26);4-9,15,24H,1,10-12H2,2-3H3,(H,25,26).
What are the key properties of 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one?
4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one has a molecular weight of 2114.55 g/mol, XLogP of 16.49, 21 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4-pyrrolidin-1-yl-3H-isoindol-1-one is sourced from PubChem (CID 158448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).