6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H26N6O2 — CID 164756484

About 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164756484) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164756484
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(C3=CCN(Cc4ccc(OC)nc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H26N6O2/c1-3-35-23-12-24(27-22(13-28)16-31-33(27)18-23)21-5-6-25(29-15-21)20-8-10-32(11-9-20)17-19-4-7-26(34-2)30-14-19/h4-8,12,14-16,18H,3,9-11,17H2,1-2H3
• InChIKey: HHWUTBJYSNQJEM-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 88.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164756484) is 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(C3=CCN(Cc4ccc(OC)nc4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HHWUTBJYSNQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-35-23-12-24(27-22(13-28)16-31-33(27)18-23)21-5-6-25(29-15-21)20-8-10-32(11-9-20)17-19-4-7-26(34-2)30-14-19/h4-8,12,14-16,18H,3,9-11,17H2,1-2H3.

What are the key properties of 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 466.55 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164756484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).