6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H33N7O3 — CID 175861835

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175861835) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 175861835
• Molecular Formula: C28H33N7O3
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.26
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COC1=NCN(C2(C)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)C=C1
• InChI: InChI=1S/C28H33N7O3/c1-27(2,36)18-38-22-13-23(26-21(14-29)16-32-35(26)17-22)20-5-6-24(30-15-20)33-11-8-28(3,9-12-33)34-10-7-25(37-4)31-19-34/h5-7,10,13,15-17,36H,8-9,11-12,18-19H2,1-4H3
• InChIKey: HKTIYOASFVKHQP-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 111.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175861835) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COC1=NCN(C2(C)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)C=C1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HKTIYOASFVKHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-27(2,36)18-38-22-13-23(26-21(14-29)16-32-35(26)17-22)20-5-6-24(30-15-20)33-11-8-28(3,9-12-33)34-10-7-25(37-4)31-19-34/h5-7,10,13,15-17,36H,8-9,11-12,18-19H2,1-4H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 515.62 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-(4-methoxy-2H-pyrimidin-1-yl)-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).