4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine

C24H25N5O — CID 121347855

IUPAC4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C24H25N5O/c1-17-10-24(19-5-3-4-18(11-19)20-12-26-28(2)15-20)25-14-23(17)21-13-27-29(16-21)22-6-8-30-9-7-22/h3-5,10-16,22H,6-9H2,1-2H3
InChIKeyVXXIKSAPZAGIIO-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.67
Rot. Bonds4

About 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine

4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine (PubChem CID 121347855) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
PubChem CID121347855
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
SMILESCc1cc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C24H25N5O/c1-17-10-24(19-5-3-4-18(11-19)20-12-26-28(2)15-20)25-14-23(17)21-13-27-29(16-21)22-6-8-30-9-7-22/h3-5,10-16,22H,6-9H2,1-2H3
InChIKeyVXXIKSAPZAGIIO-UHFFFAOYSA-N
XLogP4.67
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine (CID 121347855) is 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine is Cc1cc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C2CCOCC2)c1.
What is the InChIKey of 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine?
The InChIKey is VXXIKSAPZAGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-10-24(19-5-3-4-18(11-19)20-12-26-28(2)15-20)25-14-23(17)21-13-27-29(16-21)22-6-8-30-9-7-22/h3-5,10-16,22H,6-9H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine?
4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine has a molecular weight of 399.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 121347855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).