4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile

C22H22N4O2 — CID 162731710

IUPAC4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile
SMILESCc1c(-c2cnn(C3CCOCC3)c2)cnc(C#N)c1OCc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-20(18-12-25-26(14-18)19-7-9-27-10-8-19)13-24-21(11-23)22(16)28-15-17-5-3-2-4-6-17/h2-6,12-14,19H,7-10,15H2,1H3
InChIKeyFORVXHBSYXQTOM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.06
Rot. Bonds5

About 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile

4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile (PubChem CID 162731710) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile
PubChem CID162731710
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile
SMILESCc1c(-c2cnn(C3CCOCC3)c2)cnc(C#N)c1OCc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-20(18-12-25-26(14-18)19-7-9-27-10-8-19)13-24-21(11-23)22(16)28-15-17-5-3-2-4-6-17/h2-6,12-14,19H,7-10,15H2,1H3
InChIKeyFORVXHBSYXQTOM-UHFFFAOYSA-N
XLogP4.06
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile (CID 162731710) is 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile is Cc1c(-c2cnn(C3CCOCC3)c2)cnc(C#N)c1OCc1ccccc1.
What is the InChIKey of 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile?
The InChIKey is FORVXHBSYXQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-20(18-12-25-26(14-18)19-7-9-27-10-8-19)13-24-21(11-23)22(16)28-15-17-5-3-2-4-6-17/h2-6,12-14,19H,7-10,15H2,1H3.
What are the key properties of 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile?
4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile has a molecular weight of 374.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile is sourced from PubChem (CID 162731710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).