6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C20H18N6O2 — CID 166996330

About 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166996330) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166996330
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(O)N1CCN(c2ccc(-c3cc(O)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C20H18N6O2/c1-2-19(28)25-7-5-24(6-8-25)18-4-3-14(11-22-18)17-9-16(27)13-26-20(17)15(10-21)12-23-26/h1,3-4,9,11-13,19,27-28H,5-8H2
• InChIKey: VOGATQNVSPXSEL-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 100.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166996330) is 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(O)N1CCN(c2ccc(-c3cc(O)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VOGATQNVSPXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-19(28)25-7-5-24(6-8-25)18-4-3-14(11-22-18)17-9-16(27)13-26-20(17)15(10-21)12-23-26/h1,3-4,9,11-13,19,27-28H,5-8H2.

What are the key properties of 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-4-[6-[4-(1-hydroxyprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166996330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).