7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C18H26N8O — CID 174021467

About 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 174021467) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• PubChem CID: 174021467
• Molecular Formula: C18H26N8O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.22
• IUPAC Name: 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• SMILES: CCc1c(C)nn2c(N)c(C#N)c(NCCC(N)=C/C=N/C(C)CO)nc12
• InChI: InChI=1S/C18H26N8O/c1-4-14-12(3)25-26-16(21)15(9-19)17(24-18(14)26)23-8-6-13(20)5-7-22-11(2)10-27/h5,7,11,27H,4,6,8,10,20-21H2,1-3H3,(H,23,24)/b13-5?,22-7+
• InChIKey: ILMXOVZSNLXAAU-MIWSKRLQSA-N
• XLogP: 1.15
• TPSA: 150.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 174021467) is 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCC(N)=C/C=N/C(C)CO)nc12.

What is the InChIKey of 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The InChIKey is ILMXOVZSNLXAAU-MIWSKRLQSA-N. The full InChI is InChI=1S/C18H26N8O/c1-4-14-12(3)25-26-16(21)15(9-19)17(24-18(14)26)23-8-6-13(20)5-7-22-11(2)10-27/h5,7,11,27H,4,6,8,10,20-21H2,1-3H3,(H,23,24)/b13-5?,22-7+.

What are the key properties of 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 174021467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).