tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C118H138F5N35O11 — CID 159973665

IUPACtert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4(F)F)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C24H26F3N7O2.C24H31N7O3.C24H29N7O2.C23H25F2N7O2.C23H27N7O2/c1-14-15(11-20(35)29-14)10-16-13-28-34-19(30-17-2-3-17)12-18(31-21(16)34)32-6-8-33(9-7-32)22(36)23(4-5-23)24(25,26)27;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-5-6-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)34-24(2,3)4;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-3-4-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)24(2)5-6-24;1-13-14(9-20(33)27-13)8-15-12-26-32-19(28-16-2-3-16)10-18(29-21(15)32)30-4-6-31(7-5-30)22(34)17-11-23(17,24)25;1-14-16(11-21(31)25-14)10-17-13-24-30-20(26-18-4-5-18)12-19(27-22(17)30)28-6-8-29(9-7-28)23(32)15-2-3-15/h10,12-13,17,30H,1-9,11H2,(H,29,35);11,13-14,18,27H,1,5-10,12H2,2-4H3,(H,26,32);11,13-14,18,27H,1,3-10,12H2,2H3,(H,26,32);8,10,12,16-17,28H,1-7,9,11H2,(H,27,33);10,12-13,15,18,26H,1-9,11H2,(H,25,31)/b15-10+;2*16-11+;14-8+;16-10+
InChIKeyOEWKQMFWSLQFNH-QVZJLMHWSA-N
MW2317.63 g/mol
LogP11.46
Rot. Bonds24

About tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 159973665) has the molecular formula C118H138F5N35O11 and a molecular weight of 2317.63 g/mol. Its IUPAC name is tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Nametert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID159973665
Molecular FormulaC118H138F5N35O11
Molecular Weight2317.63 g/mol
Exact Mass2316.12
IUPAC Nametert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4(F)F)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C24H26F3N7O2.C24H31N7O3.C24H29N7O2.C23H25F2N7O2.C23H27N7O2/c1-14-15(11-20(35)29-14)10-16-13-28-34-19(30-17-2-3-17)12-18(31-21(16)34)32-6-8-33(9-7-32)22(36)23(4-5-23)24(25,26)27;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-5-6-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)34-24(2,3)4;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-3-4-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)24(2)5-6-24;1-13-14(9-20(33)27-13)8-15-12-26-32-19(28-16-2-3-16)10-18(29-21(15)32)30-4-6-31(7-5-30)22(34)17-11-23(17,24)25;1-14-16(11-21(31)25-14)10-17-13-24-30-20(26-18-4-5-18)12-19(27-22(17)30)28-6-8-29(9-7-28)23(32)15-2-3-15/h10,12-13,17,30H,1-9,11H2,(H,29,35);11,13-14,18,27H,1,5-10,12H2,2-4H3,(H,26,32);11,13-14,18,27H,1,3-10,12H2,2H3,(H,26,32);8,10,12,16-17,28H,1-7,9,11H2,(H,27,33);10,12-13,15,18,26H,1-9,11H2,(H,25,31)/b15-10+;2*16-11+;14-8+;16-10+
InChIKeyOEWKQMFWSLQFNH-QVZJLMHWSA-N
XLogP11.46
TPSA483.58 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002317.63
LogP ≤ 511.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 159973665) is tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4(C)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4(F)F)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)C4CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is OEWKQMFWSLQFNH-QVZJLMHWSA-N. The full InChI is InChI=1S/C24H26F3N7O2.C24H31N7O3.C24H29N7O2.C23H25F2N7O2.C23H27N7O2/c1-14-15(11-20(35)29-14)10-16-13-28-34-19(30-17-2-3-17)12-18(31-21(16)34)32-6-8-33(9-7-32)22(36)23(4-5-23)24(25,26)27;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-5-6-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)34-24(2,3)4;1-15-16(12-21(32)26-15)11-17-14-25-31-20(27-18-3-4-18)13-19(28-22(17)31)29-7-9-30(10-8-29)23(33)24(2)5-6-24;1-13-14(9-20(33)27-13)8-15-12-26-32-19(28-16-2-3-16)10-18(29-21(15)32)30-4-6-31(7-5-30)22(34)17-11-23(17,24)25;1-14-16(11-21(31)25-14)10-17-13-24-30-20(26-18-4-5-18)12-19(27-22(17)30)28-6-8-29(9-7-28)23(32)15-2-3-15/h10,12-13,17,30H,1-9,11H2,(H,29,35);11,13-14,18,27H,1,5-10,12H2,2-4H3,(H,26,32);11,13-14,18,27H,1,3-10,12H2,2H3,(H,26,32);8,10,12,16-17,28H,1-7,9,11H2,(H,27,33);10,12-13,15,18,26H,1-9,11H2,(H,25,31)/b15-10+;2*16-11+;14-8+;16-10+.
What are the key properties of tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2317.63 g/mol, XLogP of 11.46, 24 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;(4E)-4-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 159973665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).