4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C24H30N8O3S — CID 137082790

About 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137082790) has the molecular formula C24H30N8O3S and a molecular weight of 510.62 g/mol. Its IUPAC name is 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137082790
• Molecular Formula: C24H30N8O3S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.22
• IUPAC Name: 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CN1CCC(N(C)C(O)C2=CCC(c3c/c(=N\C4CC4)n4ncc(=Cc5[nH]c(=O)[nH]c5O)c4n3)S2)C1
• InChI: InChI=1S/C24H30N8O3S/c1-30-8-7-15(12-30)31(2)23(34)19-6-5-18(36-19)16-10-20(26-14-3-4-14)32-21(27-16)13(11-25-32)9-17-22(33)29-24(35)28-17/h6,9-11,14-15,18,23,33-34H,3-5,7-8,12H2,1-2H3,(H2,28,29,35)/b13-9?,26-20+
• InChIKey: NFFOPKZXKDQTFD-ALFNMWJLSA-N
• XLogP: 0.08
• TPSA: 138.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137082790) is 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CN1CCC(N(C)C(O)C2=CCC(c3c/c(=N\C4CC4)n4ncc(=Cc5[nH]c(=O)[nH]c5O)c4n3)S2)C1.

What is the InChIKey of 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is NFFOPKZXKDQTFD-ALFNMWJLSA-N. The full InChI is InChI=1S/C24H30N8O3S/c1-30-8-7-15(12-30)31(2)23(34)19-6-5-18(36-19)16-10-20(26-14-3-4-14)32-21(27-16)13(11-25-32)9-17-22(33)29-24(35)28-17/h6,9-11,14-15,18,23,33-34H,3-5,7-8,12H2,1-2H3,(H2,28,29,35)/b13-9?,26-20+.

What are the key properties of 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 510.62 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-cyclopropylimino-5-[5-[hydroxy-[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-2,3-dihydrothiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137082790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).