5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide

C27H32N8O3S — CID 121257332

About 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide

5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 121257332) has the molecular formula C27H32N8O3S and a molecular weight of 548.67 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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide
• PubChem CID: 121257332
• Molecular Formula: C27H32N8O3S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.23
• IUPAC Name: 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide
• SMILES: C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NC(CC)CN4CCOCC4)s3)nc12
• InChI: InChI=1S/C27H32N8O3S/c1-3-18(15-34-8-10-38-11-9-34)31-26(36)23-7-6-22(39-23)21-13-24(30-19-4-5-19)35-25(32-21)17(14-28-35)12-20-16(2)29-27(37)33-20/h6-7,12-14,18-19,30H,2-5,8-11,15H2,1H3,(H,31,36)(H2,29,33,37)/b20-12-
• InChIKey: FKTHJNDOFSOERD-NDENLUEZSA-N
• XLogP: 1.13
• TPSA: 132.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.67
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide (CID 121257332) is 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide.

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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NC(CC)CN4CCOCC4)s3)nc12.

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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide?

The InChIKey is FKTHJNDOFSOERD-NDENLUEZSA-N. The full InChI is InChI=1S/C27H32N8O3S/c1-3-18(15-34-8-10-38-11-9-34)31-26(36)23-7-6-22(39-23)21-13-24(30-19-4-5-19)35-25(32-21)17(14-28-35)12-20-16(2)29-27(37)33-20/h6-7,12-14,18-19,30H,2-5,8-11,15H2,1H3,(H,31,36)(H2,29,33,37)/b20-12-.

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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide?

5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 1.13, 9 rotatable bonds, 4 hydrogen bond donors, and 9 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-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 121257332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).