8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C25H37N5O3 — CID 129169097

About 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 129169097) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 129169097
• Molecular Formula: C25H37N5O3
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.29
• IUPAC Name: 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CON(C)CC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1C(C)C
• InChI: InChI=1S/C25H37N5O3/c1-16(2)21-13-29(9-10-30(21)22(31)14-28(5)32-6)24-19(12-26)18-11-25(3,4)33-15-20(18)23(27-24)17-7-8-17/h16-17,21H,7-11,13-15H2,1-6H3
• InChIKey: HJSFGBULZMPVPZ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 81.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 129169097) is 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CON(C)CC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1C(C)C.

What is the InChIKey of 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is HJSFGBULZMPVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-16(2)21-13-29(9-10-30(21)22(31)14-28(5)32-6)24-19(12-26)18-11-25(3,4)33-15-20(18)23(27-24)17-7-8-17/h16-17,21H,7-11,13-15H2,1-6H3.

What are the key properties of 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 455.60 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 129169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).