6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H37N7O3 — CID 148808569

About 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 148808569) has the molecular formula C33H37N7O3 and a molecular weight of 579.71 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 148808569
• Molecular Formula: C33H37N7O3
• Molecular Weight: 579.71 g/mol
• Exact Mass: 579.30
• IUPAC Name: 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(CC(=O)CN4CCOCC4)(Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C33H37N7O3/c1-2-43-29-17-30(32-26(20-34)22-37-40(32)24-29)25-6-7-31(36-21-25)39-11-8-33(9-12-39,18-27-5-3-4-10-35-27)19-28(41)23-38-13-15-42-16-14-38/h3-7,10,17,21-22,24H,2,8-9,11-16,18-19,23H2,1H3
• InChIKey: OPLKSKFPZSXRGW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 108.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.71
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 148808569) is 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CC(=O)CN4CCOCC4)(Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OPLKSKFPZSXRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O3/c1-2-43-29-17-30(32-26(20-34)22-37-40(32)24-29)25-6-7-31(36-21-25)39-11-8-33(9-12-39,18-27-5-3-4-10-35-27)19-28(41)23-38-13-15-42-16-14-38/h3-7,10,17,21-22,24H,2,8-9,11-16,18-19,23H2,1H3.

What are the key properties of 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 579.71 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-(3-morpholin-4-yl-2-oxopropyl)-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 148808569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).