(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C112H108N28O13S — CID 159455789

IUPAC(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CN)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CNC(C)=O)c4)nc23)C(=O)N1.CC(=O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CC(O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CCS(=O)(=O)Cc1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C24H24N6O2.C22H22N6O4S.C22H22N6O.C22H21N5O3.C22H19N5O3/c1-14-8-18(24(32)27-14)10-19-13-26-30-22(28-20-6-7-20)11-21(29-23(19)30)17-5-3-4-16(9-17)12-25-15(2)31;1-2-33(31,32)12-13-4-3-5-14(8-13)17-10-19(24-16-6-7-16)28-20(25-17)15(11-23-28)9-18-21(29)27-22(30)26-18;1-13-7-16(22(29)25-13)9-17-12-24-28-20(26-18-5-6-18)10-19(27-21(17)28)15-4-2-3-14(8-15)11-23;2*1-12(28)13-3-2-4-14(7-13)18-10-19(24-17-5-6-17)27-21(25-18)16(11-23-27)8-15-9-20(29)26-22(15)30/h3-5,9-11,13,20,28H,1,6-8,12H2,2H3,(H,25,31)(H,27,32);3-5,8-11,16,29H,2,6-7,12H2,1H3,(H2,26,27,30);2-4,8-10,12,18,26H,1,5-7,11,23H2,(H,25,29);2-4,7-8,10-12,17,24,28H,5-6,9H2,1H3,(H,26,29,30);2-4,7-8,10-11,17,24H,5-6,9H2,1H3,(H,26,29,30)/b18-10+;15-9?,24-19+;16-9+;2*15-8+
InChIKeyHADLWMLNYPHHGX-CJINMLAZSA-N
MW2086.35 g/mol
LogP11.59
Rot. Bonds27

About (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 159455789) has the molecular formula C112H108N28O13S and a molecular weight of 2086.35 g/mol. Its IUPAC name is (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID159455789
Molecular FormulaC112H108N28O13S
Molecular Weight2086.35 g/mol
Exact Mass2084.84
IUPAC Name(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CN)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CNC(C)=O)c4)nc23)C(=O)N1.CC(=O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CC(O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CCS(=O)(=O)Cc1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1
InChIInChI=1S/C24H24N6O2.C22H22N6O4S.C22H22N6O.C22H21N5O3.C22H19N5O3/c1-14-8-18(24(32)27-14)10-19-13-26-30-22(28-20-6-7-20)11-21(29-23(19)30)17-5-3-4-16(9-17)12-25-15(2)31;1-2-33(31,32)12-13-4-3-5-14(8-13)17-10-19(24-16-6-7-16)28-20(25-17)15(11-23-28)9-18-21(29)27-22(30)26-18;1-13-7-16(22(29)25-13)9-17-12-24-28-20(26-18-5-6-18)10-19(27-21(17)28)15-4-2-3-14(8-15)11-23;2*1-12(28)13-3-2-4-14(7-13)18-10-19(24-17-5-6-17)27-21(25-18)16(11-23-27)8-15-9-20(29)26-22(15)30/h3-5,9-11,13,20,28H,1,6-8,12H2,2H3,(H,25,31)(H,27,32);3-5,8-11,16,29H,2,6-7,12H2,1H3,(H2,26,27,30);2-4,8-10,12,18,26H,1,5-7,11,23H2,(H,25,29);2-4,7-8,10-12,17,24,28H,5-6,9H2,1H3,(H,26,29,30);2-4,7-8,10-11,17,24H,5-6,9H2,1H3,(H,26,29,30)/b18-10+;15-9?,24-19+;16-9+;2*15-8+
InChIKeyHADLWMLNYPHHGX-CJINMLAZSA-N
XLogP11.59
TPSA557.41 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.35
LogP ≤ 511.59
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 159455789) is (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CN)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4cccc(CNC(C)=O)c4)nc23)C(=O)N1.CC(=O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CC(O)c1cccc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=O)c3n2)c1.CCS(=O)(=O)Cc1cccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)c1.
What is the InChIKey of (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is HADLWMLNYPHHGX-CJINMLAZSA-N. The full InChI is InChI=1S/C24H24N6O2.C22H22N6O4S.C22H22N6O.C22H21N5O3.C22H19N5O3/c1-14-8-18(24(32)27-14)10-19-13-26-30-22(28-20-6-7-20)11-21(29-23(19)30)17-5-3-4-16(9-17)12-25-15(2)31;1-2-33(31,32)12-13-4-3-5-14(8-13)17-10-19(24-16-6-7-16)28-20(25-17)15(11-23-28)9-18-21(29)27-22(30)26-18;1-13-7-16(22(29)25-13)9-17-12-24-28-20(26-18-5-6-18)10-19(27-21(17)28)15-4-2-3-14(8-15)11-23;2*1-12(28)13-3-2-4-14(7-13)18-10-19(24-17-5-6-17)27-21(25-18)16(11-23-27)8-15-9-20(29)26-22(15)30/h3-5,9-11,13,20,28H,1,6-8,12H2,2H3,(H,25,31)(H,27,32);3-5,8-11,16,29H,2,6-7,12H2,1H3,(H2,26,27,30);2-4,8-10,12,18,26H,1,5-7,11,23H2,(H,25,29);2-4,7-8,10-12,17,24,28H,5-6,9H2,1H3,(H,26,29,30);2-4,7-8,10-11,17,24H,5-6,9H2,1H3,(H,26,29,30)/b18-10+;15-9?,24-19+;16-9+;2*15-8+.
What are the key properties of (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
(3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 2086.35 g/mol, XLogP of 11.59, 27 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-[3-(aminomethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;N-[[3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]methyl]acetamide;4-[[7-cyclopropylimino-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 159455789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).