[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid

C29H38N8O3 — CID 134496978

About [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid (PubChem CID 134496978) has the molecular formula C29H38N8O3 and a molecular weight of 546.68 g/mol. Its IUPAC name is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid
• PubChem CID: 134496978
• Molecular Formula: C29H38N8O3
• Molecular Weight: 546.68 g/mol
• Exact Mass: 546.31
• IUPAC Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid
• SMILES: CCOc1cc(-c2ccc(N3CCC(CCNC4CCN(C)CC4)(NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H38N8O3/c1-3-40-24-16-25(27-22(17-30)19-33-37(27)20-24)21-4-5-26(32-18-21)36-14-9-29(10-15-36,34-28(38)39)8-11-31-23-6-12-35(2)13-7-23/h4-5,16,18-20,23,31,34H,3,6-15H2,1-2H3,(H,38,39)
• InChIKey: MSRKLRJURJREJR-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 131.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.68
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid?

The IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid (CID 134496978) is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid.

What is the SMILES notation for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid?

The canonical SMILES for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid is CCOc1cc(-c2ccc(N3CCC(CCNC4CCN(C)CC4)(NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid?

The InChIKey is MSRKLRJURJREJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3/c1-3-40-24-16-25(27-22(17-30)19-33-37(27)20-24)21-4-5-26(32-18-21)36-14-9-29(10-15-36,34-28(38)39)8-11-31-23-6-12-35(2)13-7-23/h4-5,16,18-20,23,31,34H,3,6-15H2,1-2H3,(H,38,39).

What are the key properties of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid?

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 546.68 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 134496978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).