6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H29N7O2 — CID 146667037

About 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667037) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667037
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=CC(C)C(=O)N1CC2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CN2C1
• InChI: InChI=1S/C26H29N7O2/c1-4-18(3)26(34)31-14-21-8-9-30(16-32(21)17-31)24-7-6-19(12-28-24)23-10-22(35-5-2)15-33-25(23)20(11-27)13-29-33/h4,6-7,10,12-13,15,18,21H,1,5,8-9,14,16-17H2,2-3H3
• InChIKey: HIVGDPCZGBKHTE-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 90.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667037) is 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(C)C(=O)N1CC2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CN2C1.

What is the InChIKey of 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HIVGDPCZGBKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-4-18(3)26(34)31-14-21-8-9-30(16-32(21)17-31)24-7-6-19(12-28-24)23-10-22(35-5-2)15-33-25(23)20(11-27)13-29-33/h4,6-7,10,12-13,15,18,21H,1,5,8-9,14,16-17H2,2-3H3.

What are the key properties of 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 471.57 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).