(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

C128H131F3N30O11 — CID 162219767

IUPAC(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cc(C)c(O)c(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C29H32FN7O2.C28H30FN7O2.C26H25FN6O3.C23H23N5O2.C22H21N5O2/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-6-16(7-13(2)22(12)30)19-10-20(26-18-4-5-18)28-23(27-19)17(11-24-28)8-15-9-21(29)25-14(15)3;1-13-15(10-21(28)24-13)8-16-12-23-27-20(25-17-6-7-17)11-19(26-22(16)27)14-4-3-5-18(9-14)29-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);6-8,10-11,18,26,30H,3-5,9H2,1-2H3,(H,25,29);3-5,8-9,11-12,17,25H,1,6-7,10H2,2H3,(H,24,28)/b20-13+;19-13+;17-11+;2*15-8+
InChIKeyZTYQFMNDDXSTNY-NRCJFBGOSA-N
MW2322.65 g/mol
LogP17.15
Rot. Bonds28

About (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 162219767) has the molecular formula C128H131F3N30O11 and a molecular weight of 2322.65 g/mol. Its IUPAC name is (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID162219767
Molecular FormulaC128H131F3N30O11
Molecular Weight2322.65 g/mol
Exact Mass2321.06
IUPAC Name(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cc(C)c(O)c(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C29H32FN7O2.C28H30FN7O2.C26H25FN6O3.C23H23N5O2.C22H21N5O2/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-6-16(7-13(2)22(12)30)19-10-20(26-18-4-5-18)28-23(27-19)17(11-24-28)8-15-9-21(29)25-14(15)3;1-13-15(10-21(28)24-13)8-16-12-23-27-20(25-17-6-7-17)11-19(26-22(16)27)14-4-3-5-18(9-14)29-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);6-8,10-11,18,26,30H,3-5,9H2,1-2H3,(H,25,29);3-5,8-9,11-12,17,25H,1,6-7,10H2,2H3,(H,24,28)/b20-13+;19-13+;17-11+;2*15-8+
InChIKeyZTYQFMNDDXSTNY-NRCJFBGOSA-N
XLogP17.15
TPSA471.49 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.65
LogP ≤ 517.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 162219767) is (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cc(C)c(O)c(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12.
What is the InChIKey of (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ZTYQFMNDDXSTNY-NRCJFBGOSA-N. The full InChI is InChI=1S/C29H32FN7O2.C28H30FN7O2.C26H25FN6O3.C23H23N5O2.C22H21N5O2/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-6-16(7-13(2)22(12)30)19-10-20(26-18-4-5-18)28-23(27-19)17(11-24-28)8-15-9-21(29)25-14(15)3;1-13-15(10-21(28)24-13)8-16-12-23-27-20(25-17-6-7-17)11-19(26-22(16)27)14-4-3-5-18(9-14)29-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);6-8,10-11,18,26,30H,3-5,9H2,1-2H3,(H,25,29);3-5,8-9,11-12,17,25H,1,6-7,10H2,2H3,(H,24,28)/b20-13+;19-13+;17-11+;2*15-8+.
What are the key properties of (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 2322.65 g/mol, XLogP of 17.15, 28 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 162219767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).