6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H24N8O3 — CID 146668499

About 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146668499) has the molecular formula C25H24N8O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146668499
• Molecular Formula: C25H24N8O3
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.20
• IUPAC Name: 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=C(C)C(=O)N1CCN(c2ccc(-c3cc(OCc4nc(C)no4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C25H24N8O3/c1-16(2)25(34)32-8-6-31(7-9-32)22-5-4-18(12-27-22)21-10-20(35-15-23-29-17(3)30-36-23)14-33-24(21)19(11-26)13-28-33/h4-5,10,12-14H,1,6-9,15H2,2-3H3
• InChIKey: SBNLBTKHYBRSOF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 125.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146668499) is 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(C)C(=O)N1CCN(c2ccc(-c3cc(OCc4nc(C)no4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SBNLBTKHYBRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O3/c1-16(2)25(34)32-8-6-31(7-9-32)22-5-4-18(12-27-22)21-10-20(35-15-23-29-17(3)30-36-23)14-33-24(21)19(11-26)13-28-33/h4-5,10,12-14H,1,6-9,15H2,2-3H3.

What are the key properties of 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 484.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146668499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).