4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile

C23H23N7O2 — CID 148787519

IUPAC4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
SMILESCOc1c(-c2ccc(C#N)cc2)nn(C)c1Cc1cc(-n2nc(C)c(OC)c2C)ncn1
InChIInChI=1S/C23H23N7O2/c1-14-22(31-4)15(2)30(27-14)20-11-18(25-13-26-20)10-19-23(32-5)21(28-29(19)3)17-8-6-16(12-24)7-9-17/h6-9,11,13H,10H2,1-5H3
InChIKeyOLNICHPRFILDDW-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.16
Rot. Bonds6

About 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile

4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile (PubChem CID 148787519) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
PubChem CID148787519
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
SMILESCOc1c(-c2ccc(C#N)cc2)nn(C)c1Cc1cc(-n2nc(C)c(OC)c2C)ncn1
InChIInChI=1S/C23H23N7O2/c1-14-22(31-4)15(2)30(27-14)20-11-18(25-13-26-20)10-19-23(32-5)21(28-29(19)3)17-8-6-16(12-24)7-9-17/h6-9,11,13H,10H2,1-5H3
InChIKeyOLNICHPRFILDDW-UHFFFAOYSA-N
XLogP3.16
TPSA103.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile?
The IUPAC name of 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile (CID 148787519) is 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile?
The canonical SMILES for 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile is COc1c(-c2ccc(C#N)cc2)nn(C)c1Cc1cc(-n2nc(C)c(OC)c2C)ncn1.
What is the InChIKey of 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile?
The InChIKey is OLNICHPRFILDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-22(31-4)15(2)30(27-14)20-11-18(25-13-26-20)10-19-23(32-5)21(28-29(19)3)17-8-6-16(12-24)7-9-17/h6-9,11,13H,10H2,1-5H3.
What are the key properties of 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile?
4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile is sourced from PubChem (CID 148787519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).