N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

C83H84N24O10S3 — CID 159073913

About N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (PubChem CID 159073913) has the molecular formula C83H84N24O10S3 and a molecular weight of 1673.94 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
• PubChem CID: 159073913
• Molecular Formula: C83H84N24O10S3
• Molecular Weight: 1673.94 g/mol
• Exact Mass: 1672.60
• IUPAC Name: N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
• SMILES: C.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(CN4CCOCC4)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCC(C)O)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCC4CC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCCOCC)s3)nc12
• InChI: InChI=1S/C23H24N6O2.C20H20N6O3S.C20H18N6O2S.C19H18N6O3S.CH4/c1-16-18(13-22(30)25-16)12-19-14-24-29-6-5-21(27-23(19)29)26-20-4-2-3-17(11-20)15-28-7-9-31-10-8-28;1-3-29-9-7-21-19(27)17-5-4-16(30-17)14-6-8-26-18(24-14)13(11-22-26)10-15-12(2)23-20(28)25-15;1-11-15(25-20(28)23-11)8-13-10-22-26-7-6-14(24-18(13)26)16-4-5-17(29-16)19(27)21-9-12-2-3-12;1-10(26)8-20-18(27)16-4-3-15(29-16)13-5-6-25-17(23-13)12(9-21-25)7-14-11(2)22-19(28)24-14;/h2-6,11-12,14H,1,7-10,13,15H2,(H,25,30)(H,26,27);4-6,8,10-11H,2-3,7,9H2,1H3,(H,21,27)(H2,23,25,28);4-8,10,12H,1-3,9H2,(H,21,27)(H2,23,25,28);3-7,9-10,26H,2,8H2,1H3,(H,20,27)(H2,22,24,28);1H4/b18-12+;15-10-;15-8-;14-7-
• InChIKey: JZZYJIBMDXRMMA-LHDNTZSRSA-N
• XLogP: 4.51
• TPSA: 437.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.94
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?

The IUPAC name of N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (CID 159073913) is N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.

What is the SMILES notation for N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?

The canonical SMILES for N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is C.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(CN4CCOCC4)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCC(C)O)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCC4CC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2ccc(-c3ccc(C(=O)NCCOCC)s3)nc12.

What is the InChIKey of N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?

The InChIKey is JZZYJIBMDXRMMA-LHDNTZSRSA-N. The full InChI is InChI=1S/C23H24N6O2.C20H20N6O3S.C20H18N6O2S.C19H18N6O3S.CH4/c1-16-18(13-22(30)25-16)12-19-14-24-29-6-5-21(27-23(19)29)26-20-4-2-3-17(11-20)15-28-7-9-31-10-8-28;1-3-29-9-7-21-19(27)17-5-4-16(30-17)14-6-8-26-18(24-14)13(11-22-26)10-15-12(2)23-20(28)25-15;1-11-15(25-20(28)23-11)8-13-10-22-26-7-6-14(24-18(13)26)16-4-5-17(29-16)19(27)21-9-12-2-3-12;1-10(26)8-20-18(27)16-4-3-15(29-16)13-5-6-25-17(23-13)12(9-21-25)7-14-11(2)22-19(28)24-14;/h2-6,11-12,14H,1,7-10,13,15H2,(H,25,30)(H,26,27);4-6,8,10-11H,2-3,7,9H2,1H3,(H,21,27)(H2,23,25,28);4-8,10,12H,1-3,9H2,(H,21,27)(H2,23,25,28);3-7,9-10,26H,2,8H2,1H3,(H,20,27)(H2,22,24,28);1H4/b18-12+;15-10-;15-8-;14-7-;.

What are the key properties of N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?

N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one has a molecular weight of 1673.94 g/mol, XLogP of 4.51, 22 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-ethoxyethyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;N-(2-hydroxypropyl)-5-[3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;methane;(4E)-5-methylidene-4-[[5-[3-(morpholin-4-ylmethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is sourced from PubChem (CID 159073913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).