5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C109H104F5N35O14S5 — CID 158722609

IUPAC5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(C)O)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(F)(F)F)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCOC)s3)nc12.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@@H](F)C1.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@H](F)C1
InChIInChI=1S/2C22H20FN7O3S.2C22H23N7O3S.C21H18F3N7O2S/c2*23-12-5-6-29(10-12)21(32)17-4-3-16(34-17)14-8-18(25-13-1-2-13)30-19(26-14)11(9-24-30)7-15-20(31)28-22(33)27-15;1-11(30)9-23-21(31)18-6-5-17(33-18)16-8-19(26-14-3-4-14)29-20(27-16)13(10-24-29)7-15-12(2)25-22(32)28-15;1-12-15(28-22(31)25-12)9-13-11-24-29-19(26-14-3-4-14)10-16(27-20(13)29)17-5-6-18(33-17)21(30)23-7-8-32-2;1-10-13(30-20(33)27-10)6-11-8-26-31-17(28-12-2-3-12)7-14(29-18(11)31)15-4-5-16(34-15)19(32)25-9-21(22,23)24/h2*3-4,7-9,12-13,31H,1-2,5-6,10H2,(H2,27,28,33);5-8,10-11,14,26,30H,2-4,9H2,1H3,(H,23,31)(H2,25,28,32);5-6,9-11,14,26H,1,3-4,7-8H2,2H3,(H,23,30)(H2,25,28,31);4-8,12,28H,1-3,9H2,(H,25,32)(H2,27,30,33)/b2*11-7?,25-18+;15-7-;15-9-;13-6-/t2*12-;;;/m10.../s1
InChIKeyBUNDDGHYQZPCFD-MDBOAUCWSA-N
MW2383.59 g/mol
LogP4.59
Rot. Bonds29

About 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 158722609) has the molecular formula C109H104F5N35O14S5 and a molecular weight of 2383.59 g/mol. Its IUPAC name is 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID158722609
Molecular FormulaC109H104F5N35O14S5
Molecular Weight2383.59 g/mol
Exact Mass2381.70
IUPAC Name5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(C)O)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(F)(F)F)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCOC)s3)nc12.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@@H](F)C1.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@H](F)C1
InChIInChI=1S/2C22H20FN7O3S.2C22H23N7O3S.C21H18F3N7O2S/c2*23-12-5-6-29(10-12)21(32)17-4-3-16(34-17)14-8-18(25-13-1-2-13)30-19(26-14)11(9-24-30)7-15-20(31)28-22(33)27-15;1-11(30)9-23-21(31)18-6-5-17(33-18)16-8-19(26-14-3-4-14)29-20(27-16)13(10-24-29)7-15-12(2)25-22(32)28-15;1-12-15(28-22(31)25-12)9-13-11-24-29-19(26-14-3-4-14)10-16(27-20(13)29)17-5-6-18(33-17)21(30)23-7-8-32-2;1-10-13(30-20(33)27-10)6-11-8-26-31-17(28-12-2-3-12)7-14(29-18(11)31)15-4-5-16(34-15)19(32)25-9-21(22,23)24/h2*3-4,7-9,12-13,31H,1-2,5-6,10H2,(H2,27,28,33);5-8,10-11,14,26,30H,2-4,9H2,1H3,(H,23,31)(H2,25,28,32);5-6,9-11,14,26H,1,3-4,7-8H2,2H3,(H,23,30)(H2,25,28,31);4-8,12,28H,1-3,9H2,(H,25,32)(H2,27,30,33)/b2*11-7?,25-18+;15-7-;15-9-;13-6-/t2*12-;;;/m10.../s1
InChIKeyBUNDDGHYQZPCFD-MDBOAUCWSA-N
XLogP4.59
TPSA652.85 Ų
H-Bond Donors19
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.59
LogP ≤ 54.59
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 158722609) is 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(C)O)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCC(F)(F)F)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCOC)s3)nc12.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@@H](F)C1.O=C(c1ccc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)s1)N1CC[C@H](F)C1.
What is the InChIKey of 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is BUNDDGHYQZPCFD-MDBOAUCWSA-N. The full InChI is InChI=1S/2C22H20FN7O3S.2C22H23N7O3S.C21H18F3N7O2S/c2*23-12-5-6-29(10-12)21(32)17-4-3-16(34-17)14-8-18(25-13-1-2-13)30-19(26-14)11(9-24-30)7-15-20(31)28-22(33)27-15;1-11(30)9-23-21(31)18-6-5-17(33-18)16-8-19(26-14-3-4-14)29-20(27-16)13(10-24-29)7-15-12(2)25-22(32)28-15;1-12-15(28-22(31)25-12)9-13-11-24-29-19(26-14-3-4-14)10-16(27-20(13)29)17-5-6-18(33-17)21(30)23-7-8-32-2;1-10-13(30-20(33)27-10)6-11-8-26-31-17(28-12-2-3-12)7-14(29-18(11)31)15-4-5-16(34-15)19(32)25-9-21(22,23)24/h2*3-4,7-9,12-13,31H,1-2,5-6,10H2,(H2,27,28,33);5-8,10-11,14,26,30H,2-4,9H2,1H3,(H,23,31)(H2,25,28,32);5-6,9-11,14,26H,1,3-4,7-8H2,2H3,(H,23,30)(H2,25,28,31);4-8,12,28H,1-3,9H2,(H,25,32)(H2,27,30,33)/b2*11-7?,25-18+;15-7-;15-9-;13-6-/t2*12-;;;/m10.../s1.
What are the key properties of 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 2383.59 g/mol, XLogP of 4.59, 29 rotatable bonds, 19 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 158722609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).