2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile

C111H101Cl2F2N37O6 — CID 158699110

IUPAC2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
SMILESC=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)c(Cl)c4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cn4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccccc4F)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cc(Cl)ccc4F)nc23)[nH]c(=O)n1CO
InChIInChI=1S/C23H20ClN7O.C23H21N9O.C22H21FN6O.C22H20N8O.C21H19ClFN7O2/c1-13-15(8-22(32)30(13)2)7-16-12-26-31-21(28-17-5-6-17)10-20(29-23(16)31)27-18-4-3-14(11-25)19(24)9-18;1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-13-14(10-21(30)28(13)2)9-15-12-24-29-20(25-16-7-8-16)11-19(27-22(15)29)26-18-6-4-3-5-17(18)23;1-13-15(8-21(31)29(13)2)7-16-12-25-30-20(26-17-4-5-17)9-19(28-22(16)30)27-18-6-3-14(10-23)11-24-18;1-11-16(27-21(32)29(11)10-31)6-12-9-24-30-19(25-14-3-4-14)8-18(28-20(12)30)26-17-7-13(22)2-5-15(17)23/h3-4,7,9-10,12,17,28H,1,5-6,8H2,2H3,(H,27,29);4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11-12,16,25H,1,7-8,10H2,2H3,(H,26,27);3,6-7,9,11-12,17,26H,1,4-5,8H2,2H3,(H,24,27,28);2,5-9,14,25,31H,1,3-4,10H2,(H,26,28)(H,27,32)/b15-7+;15-8+;14-9+;15-7+;16-6-
InChIKeyIHHTZUREZWEDSK-CIAIMMBESA-N
MW2158.18 g/mol
LogP15.91
Rot. Bonds27

About 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile (PubChem CID 158699110) has the molecular formula C111H101Cl2F2N37O6 and a molecular weight of 2158.18 g/mol. Its IUPAC name is 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
PubChem CID158699110
Molecular FormulaC111H101Cl2F2N37O6
Molecular Weight2158.18 g/mol
Exact Mass2155.81
IUPAC Name2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile
SMILESC=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)c(Cl)c4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cn4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccccc4F)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cc(Cl)ccc4F)nc23)[nH]c(=O)n1CO
InChIInChI=1S/C23H20ClN7O.C23H21N9O.C22H21FN6O.C22H20N8O.C21H19ClFN7O2/c1-13-15(8-22(32)30(13)2)7-16-12-26-31-21(28-17-5-6-17)10-20(29-23(16)31)27-18-4-3-14(11-25)19(24)9-18;1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-13-14(10-21(30)28(13)2)9-15-12-24-29-20(25-16-7-8-16)11-19(27-22(15)29)26-18-6-4-3-5-17(18)23;1-13-15(8-21(31)29(13)2)7-16-12-25-30-20(26-17-4-5-17)9-19(28-22(16)30)27-18-6-3-14(10-23)11-24-18;1-11-16(27-21(32)29(11)10-31)6-12-9-24-30-19(25-14-3-4-14)8-18(28-20(12)30)26-17-7-13(22)2-5-15(17)23/h3-4,7,9-10,12,17,28H,1,5-6,8H2,2H3,(H,27,29);4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11-12,16,25H,1,7-8,10H2,2H3,(H,26,27);3,6-7,9,11-12,17,26H,1,4-5,8H2,2H3,(H,24,27,28);2,5-9,14,25,31H,1,3-4,10H2,(H,26,28)(H,27,32)/b15-7+;15-8+;14-9+;15-7+;16-6-
InChIKeyIHHTZUREZWEDSK-CIAIMMBESA-N
XLogP15.91
TPSA510.48 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.18
LogP ≤ 515.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile (CID 158699110) is 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile is C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)c(Cl)c4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cn4)nc23)CC(=O)N1C.C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccccc4F)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cc(Cl)ccc4F)nc23)[nH]c(=O)n1CO.
What is the InChIKey of 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
The InChIKey is IHHTZUREZWEDSK-CIAIMMBESA-N. The full InChI is InChI=1S/C23H20ClN7O.C23H21N9O.C22H21FN6O.C22H20N8O.C21H19ClFN7O2/c1-13-15(8-22(32)30(13)2)7-16-12-26-31-21(28-17-5-6-17)10-20(29-23(16)31)27-18-4-3-14(11-25)19(24)9-18;1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-13-14(10-21(30)28(13)2)9-15-12-24-29-20(25-16-7-8-16)11-19(27-22(15)29)26-18-6-4-3-5-17(18)23;1-13-15(8-21(31)29(13)2)7-16-12-25-30-20(26-17-4-5-17)9-19(28-22(16)30)27-18-6-3-14(10-23)11-24-18;1-11-16(27-21(32)29(11)10-31)6-12-9-24-30-19(25-14-3-4-14)8-18(28-20(12)30)26-17-7-13(22)2-5-15(17)23/h3-4,7,9-10,12,17,28H,1,5-6,8H2,2H3,(H,27,29);4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11-12,16,25H,1,7-8,10H2,2H3,(H,26,27);3,6-7,9,11-12,17,26H,1,4-5,8H2,2H3,(H,24,27,28);2,5-9,14,25,31H,1,3-4,10H2,(H,26,28)(H,27,32)/b15-7+;15-8+;14-9+;15-7+;16-6-.
What are the key properties of 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile?
2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile has a molecular weight of 2158.18 g/mol, XLogP of 15.91, 27 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile;(4Z)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-(hydroxymethyl)-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 158699110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).