6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667745) has the molecular formula C31H32N6O3 and a molecular weight of 536.64 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID	146667745
Molecular Formula	C31H32N6O3
Molecular Weight	536.64 g/mol
Exact Mass	536.25
IUPAC Name	6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES	COc1ccc(C#CCN2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cc1
InChI	InChI=1S/C31H32N6O3/c1-31(2,38)22-40-27-17-28(30-25(18-32)20-34-37(30)21-27)24-8-11-29(33-19-24)36-15-13-35(14-16-36)12-4-5-23-6-9-26(39-3)10-7-23/h6-11,17,19-21,38H,12-16,22H2,1-3H3
InChIKey	OUEWSRVLGDUESQ-UHFFFAOYSA-N
XLogP	3.60
TPSA	99.15 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667745) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-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-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(C#CCN2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cc1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is OUEWSRVLGDUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O3/c1-31(2,38)22-40-27-17-28(30-25(18-32)20-34-37(30)21-27)24-8-11-29(33-19-24)36-15-13-35(14-16-36)12-4-5-23-6-9-26(39-3)10-7-23/h6-11,17,19-21,38H,12-16,22H2,1-3H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 536.64 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[3-(4-methoxyphenyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).