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

C29H37N7O4 — CID 134435438

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

propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate (PubChem CID 134435438) has the molecular formula C29H37N7O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is propan-2-yl N-[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: propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
• PubChem CID: 134435438
• Molecular Formula: C29H37N7O4
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.29
• IUPAC Name: propan-2-yl N-[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)(NC(=O)OC(C)C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H37N7O4/c1-4-39-24-15-25(27-23(16-30)18-32-36(27)19-24)22-5-6-26(31-17-22)35-9-7-29(8-10-35,33-28(37)40-21(2)3)20-34-11-13-38-14-12-34/h5-6,15,17-19,21H,4,7-14,20H2,1-3H3,(H,33,37)
• InChIKey: NNSZEJKRLYWRQW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 117.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[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 propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate (CID 134435438) is propan-2-yl N-[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 propan-2-yl N-[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 propan-2-yl N-[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)(NC(=O)OC(C)C)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of propan-2-yl N-[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 NNSZEJKRLYWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4/c1-4-39-24-15-25(27-23(16-30)18-32-36(27)19-24)22-5-6-26(31-17-22)35-9-7-29(8-10-35,33-28(37)40-21(2)3)20-34-11-13-38-14-12-34/h5-6,15,17-19,21H,4,7-14,20H2,1-3H3,(H,33,37).

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

propan-2-yl N-[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 547.66 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[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 134435438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).