[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid

C27H34N8O3 — CID 134496730

About [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid (PubChem CID 134496730) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid
• PubChem CID: 134496730
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN[C@@H](C)C4)(NC(=O)O)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H34N8O3/c1-3-38-22-12-23(25-21(13-28)15-31-35(25)17-22)20-4-5-24(30-14-20)34-9-6-27(7-10-34,32-26(36)37)18-33-11-8-29-19(2)16-33/h4-5,12,14-15,17,19,29,32H,3,6-11,16,18H2,1-2H3,(H,36,37)/t19-/m0/s1
• InChIKey: NFKDVKFSVKFNKC-IBGZPJMESA-N
• XLogP: 2.57
• TPSA: 131.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	2.57
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-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid?

The IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid (CID 134496730) is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]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-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid?

The canonical SMILES for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid is CCOc1cc(-c2ccc(N3CCC(CN4CCN[C@@H](C)C4)(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-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid?

The InChIKey is NFKDVKFSVKFNKC-IBGZPJMESA-N. The full InChI is InChI=1S/C27H34N8O3/c1-3-38-22-12-23(25-21(13-28)15-31-35(25)17-22)20-4-5-24(30-14-20)34-9-6-27(7-10-34,32-26(36)37)18-33-11-8-29-19(2)16-33/h4-5,12,14-15,17,19,29,32H,3,6-11,16,18H2,1-2H3,(H,36,37)/t19-/m0/s1.

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

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid has a molecular weight of 518.62 g/mol, XLogP of 2.57, 7 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-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 134496730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).