6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C25H34N4O2 — CID 71137208

About 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71137208) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 71137208
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC(C)[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)C1CC1
• InChI: InChI=1S/C25H34N4O2/c1-15(2)21-13-28(9-10-29(21)24(30)17-7-8-17)23-19(12-26)18-11-25(3,4)31-14-20(18)22(27-23)16-5-6-16/h15-17,21H,5-11,13-14H2,1-4H3/t21-/m0/s1
• InChIKey: KIQPNCNEGIYFFL-NRFANRHFSA-N
• XLogP: 3.77
• TPSA: 69.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71137208) is 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

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

The canonical SMILES for 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)C1CC1.

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

The InChIKey is KIQPNCNEGIYFFL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-15(2)21-13-28(9-10-29(21)24(30)17-7-8-17)23-19(12-26)18-11-25(3,4)31-14-20(18)22(27-23)16-5-6-16/h15-17,21H,5-11,13-14H2,1-4H3/t21-/m0/s1.

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

6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 422.57 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71137208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).