2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile

C26H25N3 — CID 67715010

IUPAC2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCCc1nn2c(C)cccc2c1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H25N3/c1-3-4-11-25-24(26-12-7-8-19(2)29(26)28-25)17-20-13-15-21(16-14-20)23-10-6-5-9-22(23)18-27/h5-10,12-16H,3-4,11,17H2,1-2H3
InChIKeyQZDGBMSSJJKMFM-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.11
Rot. Bonds6

About 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile

2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile (PubChem CID 67715010) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile
PubChem CID67715010
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCCc1nn2c(C)cccc2c1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H25N3/c1-3-4-11-25-24(26-12-7-8-19(2)29(26)28-25)17-20-13-15-21(16-14-20)23-10-6-5-9-22(23)18-27/h5-10,12-16H,3-4,11,17H2,1-2H3
InChIKeyQZDGBMSSJJKMFM-UHFFFAOYSA-N
XLogP6.11
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile (CID 67715010) is 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile is CCCCc1nn2c(C)cccc2c1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile?
The InChIKey is QZDGBMSSJJKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-3-4-11-25-24(26-12-7-8-19(2)29(26)28-25)17-20-13-15-21(16-14-20)23-10-6-5-9-22(23)18-27/h5-10,12-16H,3-4,11,17H2,1-2H3.
What are the key properties of 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile?
2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile has a molecular weight of 379.51 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 67715010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).