(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide

C103H115N27O8S4 — CID 158604676

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)N4C[C@@H](C)N[C@@H](C)C4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NC(CC)CN4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NCCC4CCCN4C)c3)nc12.[2H]C([2H])([2H])N(C)C(=O)c1cc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=C)c3n2)cs1
InChIInChI=1S/C28H33N7O2S.C27H31N7O2S.C26H29N7O2S.C22H22N6O2S/c1-3-21(15-34-8-4-5-9-34)32-28(37)24-11-20(16-38-24)23-13-25(31-22-6-7-22)35-27(33-23)19(14-29-35)10-18-12-26(36)30-17(18)2;1-16-17(12-25(35)30-16)10-18-14-29-34-24(31-20-5-6-20)13-22(32-26(18)34)19-11-23(37-15-19)27(36)28-8-7-21-4-3-9-33(21)2;1-14-11-32(12-15(2)28-14)26(35)22-7-19(13-36-22)21-9-23(30-20-4-5-20)33-25(31-21)18(10-27-33)6-17-8-24(34)29-16(17)3;1-12-13(8-20(29)24-12)6-14-10-23-28-19(25-16-4-5-16)9-17(26-21(14)28)15-7-18(31-11-15)22(30)27(2)3/h10-11,13-14,16,21-22,31H,2-9,12,15H2,1H3,(H,30,36)(H,32,37);10-11,13-15,20-21,31H,1,3-9,12H2,2H3,(H,28,36)(H,30,35);6-7,9-10,13-15,20,28,30H,3-5,8,11-12H2,1-2H3,(H,29,34);6-7,9-11,16,25H,1,4-5,8H2,2-3H3,(H,24,29)/b18-10+;17-10+;17-6+;13-6+/t;;14-,15+;/i;;;2D3
InChIKeyHWBJUBRGRHGRSF-MWTQPXNUSA-N
MW1990.52 g/mol
LogP14.14
Rot. Bonds28

About (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide

(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 158604676) has the molecular formula C103H115N27O8S4 and a molecular weight of 1990.52 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide
PubChem CID158604676
Molecular FormulaC103H115N27O8S4
Molecular Weight1990.52 g/mol
Exact Mass1988.85
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)N4C[C@@H](C)N[C@@H](C)C4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NC(CC)CN4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NCCC4CCCN4C)c3)nc12.[2H]C([2H])([2H])N(C)C(=O)c1cc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=C)c3n2)cs1
InChIInChI=1S/C28H33N7O2S.C27H31N7O2S.C26H29N7O2S.C22H22N6O2S/c1-3-21(15-34-8-4-5-9-34)32-28(37)24-11-20(16-38-24)23-13-25(31-22-6-7-22)35-27(33-23)19(14-29-35)10-18-12-26(36)30-17(18)2;1-16-17(12-25(35)30-16)10-18-14-29-34-24(31-20-5-6-20)13-22(32-26(18)34)19-11-23(37-15-19)27(36)28-8-7-21-4-3-9-33(21)2;1-14-11-32(12-15(2)28-14)26(35)22-7-19(13-36-22)21-9-23(30-20-4-5-20)33-25(31-21)18(10-27-33)6-17-8-24(34)29-16(17)3;1-12-13(8-20(29)24-12)6-14-10-23-28-19(25-16-4-5-16)9-17(26-21(14)28)15-7-18(31-11-15)22(30)27(2)3/h10-11,13-14,16,21-22,31H,2-9,12,15H2,1H3,(H,30,36)(H,32,37);10-11,13-15,20-21,31H,1,3-9,12H2,2H3,(H,28,36)(H,30,35);6-7,9-10,13-15,20,28,30H,3-5,8,11-12H2,1-2H3,(H,29,34);6-7,9-11,16,25H,1,4-5,8H2,2-3H3,(H,24,29)/b18-10+;17-10+;17-6+;13-6+/t;;14-,15+;/i;;;2D3
InChIKeyHWBJUBRGRHGRSF-MWTQPXNUSA-N
XLogP14.14
TPSA402.61 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.52
LogP ≤ 514.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 36
CID 134539804
US10100058, Example 310
CID 134539462
US10100058, Example 314
CID 134539536
US10100058, Example 204
CID 134539586
US10100058, Example 331
CID 134539643
US10100058, Example 318
CID 134539749
US10100058, Example 263
CID 134539791
US10100058, Example 155
CID 134539809
US10100058, Example 311
CID 134539823
US10100058, Example 317
CID 134539832
US10100058, Example 285
CID 134540100
US10100058, Example 207
CID 134540183

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide (CID 158604676) is (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)N4C[C@@H](C)N[C@@H](C)C4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NC(CC)CN4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3csc(C(=O)NCCC4CCCN4C)c3)nc12.[2H]C([2H])([2H])N(C)C(=O)c1cc(-c2cc(NC3CC3)n3ncc(/C=C4\CC(=O)NC4=C)c3n2)cs1.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is HWBJUBRGRHGRSF-MWTQPXNUSA-N. The full InChI is InChI=1S/C28H33N7O2S.C27H31N7O2S.C26H29N7O2S.C22H22N6O2S/c1-3-21(15-34-8-4-5-9-34)32-28(37)24-11-20(16-38-24)23-13-25(31-22-6-7-22)35-27(33-23)19(14-29-35)10-18-12-26(36)30-17(18)2;1-16-17(12-25(35)30-16)10-18-14-29-34-24(31-20-5-6-20)13-22(32-26(18)34)19-11-23(37-15-19)27(36)28-8-7-21-4-3-9-33(21)2;1-14-11-32(12-15(2)28-14)26(35)22-7-19(13-36-22)21-9-23(30-20-4-5-20)33-25(31-21)18(10-27-33)6-17-8-24(34)29-16(17)3;1-12-13(8-20(29)24-12)6-14-10-23-28-19(25-16-4-5-16)9-17(26-21(14)28)15-7-18(31-11-15)22(30)27(2)3/h10-11,13-14,16,21-22,31H,2-9,12,15H2,1H3,(H,30,36)(H,32,37);10-11,13-15,20-21,31H,1,3-9,12H2,2H3,(H,28,36)(H,30,35);6-7,9-10,13-15,20,28,30H,3-5,8,11-12H2,1-2H3,(H,29,34);6-7,9-11,16,25H,1,4-5,8H2,2-3H3,(H,24,29)/b18-10+;17-10+;17-6+;13-6+/t;;14-,15+;/i;;;2D3.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide?
(4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 1990.52 g/mol, XLogP of 14.14, 28 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophen-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(trideuteriomethyl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-pyrrolidin-1-ylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 158604676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).