4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C31H32N10O2 — CID 135252414

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(C6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C31H32N10O2/c1-42-29-5-2-22(15-34-29)19-38-8-10-39(11-9-38)28-4-3-23(16-33-28)30-31-24(14-32)17-36-41(31)21-27(37-30)25-18-35-40(20-25)26-6-12-43-13-7-26/h2-5,15-18,20-21,26H,6-13,19H2,1H3
InChIKeyGQEOMLZLEYDSLN-UHFFFAOYSA-N
MW576.67 g/mol
LogP3.60
Rot. Bonds7

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135252414) has the molecular formula C31H32N10O2 and a molecular weight of 576.67 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
PubChem CID135252414
Molecular FormulaC31H32N10O2
Molecular Weight576.67 g/mol
Exact Mass576.27
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(C6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C31H32N10O2/c1-42-29-5-2-22(15-34-29)19-38-8-10-39(11-9-38)28-4-3-23(16-33-28)30-31-24(14-32)17-36-41(31)21-27(37-30)25-18-35-40(20-25)26-6-12-43-13-7-26/h2-5,15-18,20-21,26H,6-13,19H2,1H3
InChIKeyGQEOMLZLEYDSLN-UHFFFAOYSA-N
XLogP3.60
TPSA122.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.67
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135252414) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4nc(-c5cnn(C6CCOCC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is GQEOMLZLEYDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N10O2/c1-42-29-5-2-22(15-34-29)19-38-8-10-39(11-9-38)28-4-3-23(16-33-28)30-31-24(14-32)17-36-41(31)21-27(37-30)25-18-35-40(20-25)26-6-12-43-13-7-26/h2-5,15-18,20-21,26H,6-13,19H2,1H3.
What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 576.67 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135252414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).