4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H31N7O2 — CID 148655588

About 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 148655588) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 148655588
• Molecular Formula: C28H31N7O2
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.25
• IUPAC Name: 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC(C(=O)COC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C28H31N7O2/c1-28(2,3)37-18-25(36)19-7-9-34(10-8-19)26-6-5-20(13-30-26)24-11-21(23-15-31-33(4)16-23)17-35-27(24)22(12-29)14-32-35/h5-6,11,13-17,19H,7-10,18H2,1-4H3
• InChIKey: NMTPXXNBUSYVOD-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 101.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 148655588) is 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(C(=O)COC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NMTPXXNBUSYVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-28(2,3)37-18-25(36)19-7-9-34(10-8-19)26-6-5-20(13-30-26)24-11-21(23-15-31-33(4)16-23)17-35-27(24)22(12-29)14-32-35/h5-6,11,13-17,19H,7-10,18H2,1-4H3.

What are the key properties of 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 497.60 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 148655588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).