4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H33N5O3 — CID 134435682

About 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435682) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435682
• Molecular Formula: C30H33N5O3
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.26
• IUPAC Name: 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1ccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cc1
• InChI: InChI=1S/C30H33N5O3/c1-21-4-6-22(7-5-21)15-30(37)10-12-34(13-11-30)27-9-8-23(17-32-27)26-14-25(38-20-29(2,3)36)19-35-28(26)24(16-31)18-33-35/h4-9,14,17-19,36-37H,10-13,15,20H2,1-3H3
• InChIKey: BBPBSSVBBBPANM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 106.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435682) is 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cc1.

What is the InChIKey of 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BBPBSSVBBBPANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-21-4-6-22(7-5-21)15-30(37)10-12-34(13-11-30)27-9-8-23(17-32-27)26-14-25(38-20-29(2,3)36)19-35-28(26)24(16-31)18-33-35/h4-9,14,17-19,36-37H,10-13,15,20H2,1-3H3.

What are the key properties of 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 511.63 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).