(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C102H106N30O9S4 — CID 157389274

About (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 157389274) has the molecular formula C102H106N30O9S4 and a molecular weight of 2024.44 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)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-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
• PubChem CID: 157389274
• Molecular Formula: C102H106N30O9S4
• Molecular Weight: 2024.44 g/mol
• Exact Mass: 2022.76
• IUPAC Name: (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
• SMILES: C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4C(C)C=CC4C)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCCOCC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCCCN4CCCC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCc4ccccn4)s3)nc12
• InChI: InChI=1S/C27H32N8O2S.C26H24N8O2S.C25H25N7O2S.C24H25N7O3S/c1-17-20(33-27(37)30-17)14-18-16-29-35-24(31-19-6-7-19)15-21(32-25(18)35)22-8-9-23(38-22)26(36)28-10-2-3-11-34-12-4-5-13-34;1-15-19(33-26(36)30-15)12-16-14-29-34-23(31-18-5-6-18)13-20(32-24(16)34)21-7-8-22(37-21)25(35)28-11-9-17-4-2-3-10-27-17;1-13-4-5-14(2)31(13)24(33)21-9-8-20(35-21)19-11-22(28-17-6-7-17)32-23(29-19)16(12-26-32)10-18-15(3)27-25(34)30-18;1-14-17(29-24(33)26-14)11-15-13-25-31-21(27-16-3-4-16)12-18(28-22(15)31)19-5-6-20(35-19)23(32)30-7-2-9-34-10-8-30/h8-9,14-16,19,31H,1-7,10-13H2,(H,28,36)(H2,30,33,37);2-4,7-8,10,12-14,18,31H,1,5-6,9,11H2,(H,28,35)(H2,30,33,36);4-5,8-14,17,28H,3,6-7H2,1-2H3,(H2,27,30,34);5-6,11-13,16,27H,1-4,7-10H2,(H2,26,29,33)/b20-14-;19-12-;18-10-;17-11-
• InChIKey: BLUMZPPXOUBHKH-QDENZELUSA-N
• XLogP: 6.78
• TPSA: 487.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2024.44
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)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-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 157389274) is (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)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-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)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-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4C(C)C=CC4C)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCCOCC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCCCN4CCCC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCCc4ccccn4)s3)nc12.

What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

The InChIKey is BLUMZPPXOUBHKH-QDENZELUSA-N. The full InChI is InChI=1S/C27H32N8O2S.C26H24N8O2S.C25H25N7O2S.C24H25N7O3S/c1-17-20(33-27(37)30-17)14-18-16-29-35-24(31-19-6-7-19)15-21(32-25(18)35)22-8-9-23(38-22)26(36)28-10-2-3-11-34-12-4-5-13-34;1-15-19(33-26(36)30-15)12-16-14-29-34-23(31-18-5-6-18)13-20(32-24(16)34)21-7-8-22(37-21)25(35)28-11-9-17-4-2-3-10-27-17;1-13-4-5-14(2)31(13)24(33)21-9-8-20(35-21)19-11-22(28-17-6-7-17)32-23(29-19)16(12-26-32)10-18-15(3)27-25(34)30-18;1-14-17(29-24(33)26-14)11-15-13-25-31-21(27-16-3-4-16)12-18(28-22(15)31)19-5-6-20(35-19)23(32)30-7-2-9-34-10-8-30/h8-9,14-16,19,31H,1-7,10-13H2,(H,28,36)(H2,30,33,37);2-4,7-8,10,12-14,18,31H,1,5-6,9,11H2,(H,28,35)(H2,30,33,36);4-5,8-14,17,28H,3,6-7H2,1-2H3,(H2,27,30,34);5-6,11-13,16,27H,1-4,7-10H2,(H2,26,29,33)/b20-14-;19-12-;18-10-;17-11-.

What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?

(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 2024.44 g/mol, XLogP of 6.78, 28 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 157389274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).