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

C26H25N11O — CID 146371999

IUPAC4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ncc(CN2CCN(c3ccc(-c4nc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C26H25N11O/c1-34-16-21(14-31-34)22-17-37-25(20(9-27)13-32-37)24(33-22)19-3-4-23(28-12-19)36-7-5-35(6-8-36)15-18-10-29-26(38-2)30-11-18/h3-4,10-14,16-17H,5-8,15H2,1-2H3
InChIKeyGZNXEAVHCQTKQM-UHFFFAOYSA-N
MW507.56 g/mol
LogP2.18
Rot. Bonds6

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

4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 146371999) has the molecular formula C26H25N11O and a molecular weight of 507.56 g/mol. Its IUPAC name is 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID146371999
Molecular FormulaC26H25N11O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ncc(CN2CCN(c3ccc(-c4nc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C26H25N11O/c1-34-16-21(14-31-34)22-17-37-25(20(9-27)13-32-37)24(33-22)19-3-4-23(28-12-19)36-7-5-35(6-8-36)15-18-10-29-26(38-2)30-11-18/h3-4,10-14,16-17H,5-8,15H2,1-2H3
InChIKeyGZNXEAVHCQTKQM-UHFFFAOYSA-N
XLogP2.18
TPSA126.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 146371999) is 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is COc1ncc(CN2CCN(c3ccc(-c4nc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is GZNXEAVHCQTKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N11O/c1-34-16-21(14-31-34)22-17-37-25(20(9-27)13-32-37)24(33-22)19-3-4-23(28-12-19)36-7-5-35(6-8-36)15-18-10-29-26(38-2)30-11-18/h3-4,10-14,16-17H,5-8,15H2,1-2H3.
What are the key properties of 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 507.56 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 146371999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).