4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H28N8O — CID 126740297

IUPAC4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccccc1CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C29H28N8O/c1-34-18-25(17-32-34)23-13-26(29-24(14-30)16-33-37(29)20-23)21-7-8-28(31-15-21)36-11-9-35(10-12-36)19-22-5-3-4-6-27(22)38-2/h3-8,13,15-18,20H,9-12,19H2,1-2H3
InChIKeyBQBXBVMCLBDWIT-UHFFFAOYSA-N
MW504.60 g/mol
LogP4.00
Rot. Bonds6

About 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740297) has the molecular formula C29H28N8O and a molecular weight of 504.60 g/mol. Its IUPAC name is 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740297
Molecular FormulaC29H28N8O
Molecular Weight504.60 g/mol
Exact Mass504.24
IUPAC Name4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccccc1CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C29H28N8O/c1-34-18-25(17-32-34)23-13-26(29-24(14-30)16-33-37(29)20-23)21-7-8-28(31-15-21)36-11-9-35(10-12-36)19-22-5-3-4-6-27(22)38-2/h3-8,13,15-18,20H,9-12,19H2,1-2H3
InChIKeyBQBXBVMCLBDWIT-UHFFFAOYSA-N
XLogP4.00
TPSA87.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740297) is 4-[6-[4-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccccc1CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BQBXBVMCLBDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O/c1-34-18-25(17-32-34)23-13-26(29-24(14-30)16-33-37(29)20-23)21-7-8-28(31-15-21)36-11-9-35(10-12-36)19-22-5-3-4-6-27(22)38-2/h3-8,13,15-18,20H,9-12,19H2,1-2H3.
What are the key properties of 4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 504.60 g/mol, XLogP of 4.00, 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-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).