(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C124H128N36O8S5 — CID 158002280

IUPAC(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4cccnc4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)Nc4cccnc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CC(C)OC(C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCC(N(C)C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCCC4)s3)nc12
InChIInChI=1S/C26H23N7O2S.C25H30N8OS.C25H29N7O2S.C25H21N7O2S.C23H25N7OS/c1-15-17(10-24(34)30-15)9-18-14-29-33-23(31-19-4-5-19)11-20(32-25(18)33)21-6-7-22(36-21)26(35)28-13-16-3-2-8-27-12-16;1-15-20(30-25(34)27-15)10-16-12-26-33-23(28-17-4-5-17)11-21(29-24(16)33)22-7-6-19(35-22)14-32-9-8-18(13-32)31(2)3;1-14-11-31(12-15(2)34-14)13-19-6-7-22(35-19)21-9-23(28-18-4-5-18)32-24(29-21)17(10-26-32)8-20-16(3)27-25(33)30-20;1-14-15(10-23(33)28-14)9-16-12-27-32-22(29-17-4-5-17)11-19(31-24(16)32)20-6-7-21(35-20)25(34)30-18-3-2-8-26-13-18;1-14-18(28-23(31)25-14)10-15-12-24-30-21(26-16-4-5-16)11-19(27-22(15)30)20-7-6-17(32-20)13-29-8-2-3-9-29/h2-3,6-9,11-12,14,19,31H,1,4-5,10,13H2,(H,28,35)(H,30,34);6-7,10-12,17-18,28H,1,4-5,8-9,13-14H2,2-3H3,(H2,27,30,34);6-10,14-15,18,28H,3-5,11-13H2,1-2H3,(H2,27,30,33);2-3,6-9,11-13,17,29H,1,4-5,10H2,(H,28,33)(H,30,34);6-7,10-12,16,26H,1-5,8-9,13H2,(H2,25,28,31)/b17-9+;20-10-;20-8-;15-9+;18-10-
InChIKeyFDWKPHQHLNJURG-LFGFEGKNSA-N
MW2410.97 g/mol
LogP13.07
Rot. Bonds32

About (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 158002280) has the molecular formula C124H128N36O8S5 and a molecular weight of 2410.97 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
PubChem CID158002280
Molecular FormulaC124H128N36O8S5
Molecular Weight2410.97 g/mol
Exact Mass2408.93
IUPAC Name(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4cccnc4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)Nc4cccnc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CC(C)OC(C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCC(N(C)C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCCC4)s3)nc12
InChIInChI=1S/C26H23N7O2S.C25H30N8OS.C25H29N7O2S.C25H21N7O2S.C23H25N7OS/c1-15-17(10-24(34)30-15)9-18-14-29-33-23(31-19-4-5-19)11-20(32-25(18)33)21-6-7-22(36-21)26(35)28-13-16-3-2-8-27-12-16;1-15-20(30-25(34)27-15)10-16-12-26-33-23(28-17-4-5-17)11-21(29-24(16)33)22-7-6-19(35-22)14-32-9-8-18(13-32)31(2)3;1-14-11-31(12-15(2)34-14)13-19-6-7-22(35-19)21-9-23(28-18-4-5-18)32-24(29-21)17(10-26-32)8-20-16(3)27-25(33)30-20;1-14-15(10-23(33)28-14)9-16-12-27-32-22(29-17-4-5-17)11-19(31-24(16)32)20-6-7-21(35-20)25(34)30-18-3-2-8-26-13-18;1-14-18(28-23(31)25-14)10-15-12-24-30-21(26-16-4-5-16)11-19(27-22(15)30)20-7-6-17(32-20)13-29-8-2-3-9-29/h2-3,6-9,11-12,14,19,31H,1,4-5,10,13H2,(H,28,35)(H,30,34);6-7,10-12,17-18,28H,1,4-5,8-9,13-14H2,2-3H3,(H2,27,30,34);6-10,14-15,18,28H,3-5,11-13H2,1-2H3,(H2,27,30,33);2-3,6-9,11-13,17,29H,1,4-5,10H2,(H,28,33)(H,30,34);6-7,10-12,16,26H,1-5,8-9,13H2,(H2,25,28,31)/b17-9+;20-10-;20-8-;15-9+;18-10-
InChIKeyFDWKPHQHLNJURG-LFGFEGKNSA-N
XLogP13.07
TPSA521.42 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002410.97
LogP ≤ 513.07
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Analyze (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]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 (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 158002280) is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4cccnc4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)Nc4cccnc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CC(C)OC(C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCC(N(C)C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCCC4)s3)nc12.
What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is FDWKPHQHLNJURG-LFGFEGKNSA-N. The full InChI is InChI=1S/C26H23N7O2S.C25H30N8OS.C25H29N7O2S.C25H21N7O2S.C23H25N7OS/c1-15-17(10-24(34)30-15)9-18-14-29-33-23(31-19-4-5-19)11-20(32-25(18)33)21-6-7-22(36-21)26(35)28-13-16-3-2-8-27-12-16;1-15-20(30-25(34)27-15)10-16-12-26-33-23(28-17-4-5-17)11-21(29-24(16)33)22-7-6-19(35-22)14-32-9-8-18(13-32)31(2)3;1-14-11-31(12-15(2)34-14)13-19-6-7-22(35-19)21-9-23(28-18-4-5-18)32-24(29-21)17(10-26-32)8-20-16(3)27-25(33)30-20;1-14-15(10-23(33)28-14)9-16-12-27-32-22(29-17-4-5-17)11-19(31-24(16)32)20-6-7-21(35-20)25(34)30-18-3-2-8-26-13-18;1-14-18(28-23(31)25-14)10-15-12-24-30-21(26-16-4-5-16)11-19(27-22(15)30)20-7-6-17(32-20)13-29-8-2-3-9-29/h2-3,6-9,11-12,14,19,31H,1,4-5,10,13H2,(H,28,35)(H,30,34);6-7,10-12,17-18,28H,1,4-5,8-9,13-14H2,2-3H3,(H2,27,30,34);6-10,14-15,18,28H,3-5,11-13H2,1-2H3,(H2,27,30,33);2-3,6-9,11-13,17,29H,1,4-5,10H2,(H,28,33)(H,30,34);6-7,10-12,16,26H,1-5,8-9,13H2,(H2,25,28,31)/b17-9+;20-10-;20-8-;15-9+;18-10-.
What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 2410.97 g/mol, XLogP of 13.07, 32 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 158002280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).