2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile

C23H19N5O2 — CID 68884540

IUPAC2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
SMILESCc1nn(-c2ccccn2)cc1COc1ccc(COc2ncccc2C#N)cc1
InChIInChI=1S/C23H19N5O2/c1-17-20(14-28(27-17)22-6-2-3-11-25-22)16-29-21-9-7-18(8-10-21)15-30-23-19(13-24)5-4-12-26-23/h2-12,14H,15-16H2,1H3
InChIKeyMRYQSWXWQCROCO-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.00
Rot. Bonds7

About 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile

2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile (PubChem CID 68884540) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
PubChem CID68884540
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
SMILESCc1nn(-c2ccccn2)cc1COc1ccc(COc2ncccc2C#N)cc1
InChIInChI=1S/C23H19N5O2/c1-17-20(14-28(27-17)22-6-2-3-11-25-22)16-29-21-9-7-18(8-10-21)15-30-23-19(13-24)5-4-12-26-23/h2-12,14H,15-16H2,1H3
InChIKeyMRYQSWXWQCROCO-UHFFFAOYSA-N
XLogP4.00
TPSA85.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile (CID 68884540) is 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile is Cc1nn(-c2ccccn2)cc1COc1ccc(COc2ncccc2C#N)cc1.
What is the InChIKey of 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The InChIKey is MRYQSWXWQCROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-17-20(14-28(27-17)22-6-2-3-11-25-22)16-29-21-9-7-18(8-10-21)15-30-23-19(13-24)5-4-12-26-23/h2-12,14H,15-16H2,1H3.
What are the key properties of 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 68884540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).