4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C25H29N7O2S — CID 137094762

About 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137094762) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 137094762
• Molecular Formula: C25H29N7O2S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.21
• IUPAC Name: 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CC(CNC1CCCC1)c1cc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)cs1
• InChI: InChI=1S/C25H29N7O2S/c1-14(11-26-17-4-2-3-5-17)21-9-16(13-35-21)19-10-22(28-18-6-7-18)32-23(29-19)15(12-27-32)8-20-24(33)31-25(34)30-20/h8-10,12-14,17-18,26,33H,2-7,11H2,1H3,(H2,30,31,34)/b15-8?,28-22+
• InChIKey: XNUVOGMRERMRMA-WHLYJVBKSA-N
• XLogP: 2.43
• TPSA: 123.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137094762) is 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CC(CNC1CCCC1)c1cc(-c2c/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)cs1.

What is the InChIKey of 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is XNUVOGMRERMRMA-WHLYJVBKSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-14(11-26-17-4-2-3-5-17)21-9-16(13-35-21)19-10-22(28-18-6-7-18)32-23(29-19)15(12-27-32)8-20-24(33)31-25(34)30-20/h8-10,12-14,17-18,26,33H,2-7,11H2,1H3,(H2,30,31,34)/b15-8?,28-22+.

What are the key properties of 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 491.62 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[5-[1-(cyclopentylamino)propan-2-yl]thiophen-3-yl]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137094762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).