6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H31N7O3 — CID 134435982

About 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435982) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435982
• Molecular Formula: C28H31N7O3
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.25
• IUPAC Name: 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(C)(C(O)Nc4ccc(OC)nc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C28H31N7O3/c1-4-38-22-13-23(26-20(14-29)16-32-35(26)18-22)19-5-7-24(30-15-19)34-11-9-28(2,10-12-34)27(36)33-21-6-8-25(37-3)31-17-21/h5-8,13,15-18,27,33,36H,4,9-12H2,1-3H3
• InChIKey: GTNCRDKKZGCZRD-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 120.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435982) is 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(C)(C(O)Nc4ccc(OC)nc4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GTNCRDKKZGCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3/c1-4-38-22-13-23(26-20(14-29)16-32-35(26)18-22)19-5-7-24(30-15-19)34-11-9-28(2,10-12-34)27(36)33-21-6-8-25(37-3)31-17-21/h5-8,13,15-18,27,33,36H,4,9-12H2,1-3H3.

What are the key properties of 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 513.60 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).