(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C118H122N28O13S3 — CID 159355967

IUPAC(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)=O)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)O)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCCC)c3)nc12
InChIInChI=1S/C25H28N6O3S.C24H26N6O3S.C23H24N6O3S.C23H23N5O2.C23H21N5O2/c1-3-4-10-35(33,34)15-17-6-5-7-18(11-17)22-13-23(28-20-8-9-20)31-24(29-22)19(14-26-31)12-21-16(2)27-25(32)30-21;1-3-9-34(32,33)14-16-5-4-6-17(10-16)21-12-22(27-19-7-8-19)30-23(28-21)18(13-25-30)11-20-15(2)26-24(31)29-20;1-3-33(31,32)13-15-5-4-6-16(9-15)20-11-21(26-18-7-8-18)29-22(27-20)17(12-24-29)10-19-14(2)25-23(30)28-19;2*1-13-17(10-22(30)25-13)9-18-12-24-28-21(26-19-6-7-19)11-20(27-23(18)28)16-5-3-4-15(8-16)14(2)29/h5-7,11-14,20,28H,2-4,8-10,15H2,1H3,(H2,27,30,32);4-6,10-13,19,27H,2-3,7-9,14H2,1H3,(H2,26,29,31);4-6,9-12,18,26H,2-3,7-8,13H2,1H3,(H2,25,28,30);3-5,8-9,11-12,14,19,26,29H,1,6-7,10H2,2H3,(H,25,30);3-5,8-9,11-12,19,26H,1,6-7,10H2,2H3,(H,25,30)/b21-12-;20-11-;19-10-;2*17-9+
InChIKeyLHXOEMGKRWAASN-PSQCBPJXSA-N
MW2236.66 g/mol
LogP11.68
Rot. Bonds34

About (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 159355967) has the molecular formula C118H122N28O13S3 and a molecular weight of 2236.66 g/mol. Its IUPAC name is (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
PubChem CID159355967
Molecular FormulaC118H122N28O13S3
Molecular Weight2236.66 g/mol
Exact Mass2234.89
IUPAC Name(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)=O)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)O)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCCC)c3)nc12
InChIInChI=1S/C25H28N6O3S.C24H26N6O3S.C23H24N6O3S.C23H23N5O2.C23H21N5O2/c1-3-4-10-35(33,34)15-17-6-5-7-18(11-17)22-13-23(28-20-8-9-20)31-24(29-22)19(14-26-31)12-21-16(2)27-25(32)30-21;1-3-9-34(32,33)14-16-5-4-6-17(10-16)21-12-22(27-19-7-8-19)30-23(28-21)18(13-25-30)11-20-15(2)26-24(31)29-20;1-3-33(31,32)13-15-5-4-6-16(9-15)20-11-21(26-18-7-8-18)29-22(27-20)17(12-24-29)10-19-14(2)25-23(30)28-19;2*1-13-17(10-22(30)25-13)9-18-12-24-28-21(26-19-6-7-19)11-20(27-23(18)28)16-5-3-4-15(8-16)14(2)29/h5-7,11-14,20,28H,2-4,8-10,15H2,1H3,(H2,27,30,32);4-6,10-13,19,27H,2-3,7-9,14H2,1H3,(H2,26,29,31);4-6,9-12,18,26H,2-3,7-8,13H2,1H3,(H2,25,28,30);3-5,8-9,11-12,14,19,26,29H,1,6-7,10H2,2H3,(H,25,30);3-5,8-9,11-12,19,26H,1,6-7,10H2,2H3,(H,25,30)/b21-12-;20-11-;19-10-;2*17-9+
InChIKeyLHXOEMGKRWAASN-PSQCBPJXSA-N
XLogP11.68
TPSA554.97 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.66
LogP ≤ 511.68
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Analyze (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 159355967) is (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)=O)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(C(C)O)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(CS(=O)(=O)CCCC)c3)nc12.
What is the InChIKey of (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is LHXOEMGKRWAASN-PSQCBPJXSA-N. The full InChI is InChI=1S/C25H28N6O3S.C24H26N6O3S.C23H24N6O3S.C23H23N5O2.C23H21N5O2/c1-3-4-10-35(33,34)15-17-6-5-7-18(11-17)22-13-23(28-20-8-9-20)31-24(29-22)19(14-26-31)12-21-16(2)27-25(32)30-21;1-3-9-34(32,33)14-16-5-4-6-17(10-16)21-12-22(27-19-7-8-19)30-23(28-21)18(13-25-30)11-20-15(2)26-24(31)29-20;1-3-33(31,32)13-15-5-4-6-16(9-15)20-11-21(26-18-7-8-18)29-22(27-20)17(12-24-29)10-19-14(2)25-23(30)28-19;2*1-13-17(10-22(30)25-13)9-18-12-24-28-21(26-19-6-7-19)11-20(27-23(18)28)16-5-3-4-15(8-16)14(2)29/h5-7,11-14,20,28H,2-4,8-10,15H2,1H3,(H2,27,30,32);4-6,10-13,19,27H,2-3,7-9,14H2,1H3,(H2,26,29,31);4-6,9-12,18,26H,2-3,7-8,13H2,1H3,(H2,25,28,30);3-5,8-9,11-12,14,19,26,29H,1,6-7,10H2,2H3,(H,25,30);3-5,8-9,11-12,19,26H,1,6-7,10H2,2H3,(H,25,30)/b21-12-;20-11-;19-10-;2*17-9+.
What are the key properties of (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 2236.66 g/mol, XLogP of 11.68, 34 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-(3-acetylphenyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(ethylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(propylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 159355967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).