4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

About 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146784506) has the molecular formula C34H32N8O3 and a molecular weight of 600.68 g/mol. Its IUPAC name is 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID	146784506
Molecular Formula	C34H32N8O3
Molecular Weight	600.68 g/mol
Exact Mass	600.26
IUPAC Name	4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES	COc1cccc(C#CCC(O)CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1
InChI	InChI=1S/C34H32N8O3/c1-39-22-28(21-37-39)26-16-31(34-27(18-35)20-38-42(34)23-26)25-9-10-32(36-19-25)40-11-13-41(14-12-40)33(44)17-29(43)7-3-5-24-6-4-8-30(15-24)45-2/h4,6,8-10,15-16,19-23,29,43H,7,11-14,17H2,1-2H3
InChIKey	RUIBWHKCJUIGBW-UHFFFAOYSA-N
XLogP	3.52
TPSA	124.81 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.68
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146784506) is 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-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-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cccc(C#CCC(O)CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.

What is the InChIKey of 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is RUIBWHKCJUIGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N8O3/c1-39-22-28(21-37-39)26-16-31(34-27(18-35)20-38-42(34)23-26)25-9-10-32(36-19-25)40-11-13-41(14-12-40)33(44)17-29(43)7-3-5-24-6-4-8-30(15-24)45-2/h4,6,8-10,15-16,19-23,29,43H,7,11-14,17H2,1-2H3.

What are the key properties of 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 600.68 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146784506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).