[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate

C26H31N7O4 — CID 175200533

About [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate (PubChem CID 175200533) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate.

Molecular Properties

• Compound Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate
• PubChem CID: 175200533
• Molecular Formula: C26H31N7O4
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.24
• IUPAC Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(OC(N)=O)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H31N7O4/c1-2-36-21-13-22(24-20(14-27)16-30-33(24)17-21)19-3-4-23(29-15-19)32-7-5-26(6-8-32,37-25(28)34)18-31-9-11-35-12-10-31/h3-4,13,15-17H,2,5-12,18H2,1H3,(H2,28,34)
• InChIKey: BGNRKUBBJOBNAI-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 131.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate?

The IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate (CID 175200533) is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate.

What is the SMILES notation for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate?

The canonical SMILES for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate is CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(OC(N)=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-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate?

The InChIKey is BGNRKUBBJOBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-2-36-21-13-22(24-20(14-27)16-30-33(24)17-21)19-3-4-23(29-15-19)32-7-5-26(6-8-32,37-25(28)34)18-31-9-11-35-12-10-31/h3-4,13,15-17H,2,5-12,18H2,1H3,(H2,28,34).

What are the key properties of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate?

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate has a molecular weight of 505.58 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 175200533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).