2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C24H20N6O — CID 10112112

IUPAC2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCn1ccnc1COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C24H20N6O/c1-30-13-12-27-23(30)16-31-19-7-5-17(6-8-19)22-14-18(9-11-26-22)20-15-28-29-24(20)21-4-2-3-10-25-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyGVSWVNXWMFWKFA-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 10112112) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID10112112
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCn1ccnc1COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C24H20N6O/c1-30-13-12-27-23(30)16-31-19-7-5-17(6-8-19)22-14-18(9-11-26-22)20-15-28-29-24(20)21-4-2-3-10-25-21/h2-15H,16H2,1H3,(H,28,29)
InChIKeyGVSWVNXWMFWKFA-UHFFFAOYSA-N
XLogP4.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 10112112) is 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is Cn1ccnc1COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is GVSWVNXWMFWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-30-13-12-27-23(30)16-31-19-7-5-17(6-8-19)22-14-18(9-11-26-22)20-15-28-29-24(20)21-4-2-3-10-25-21/h2-15H,16H2,1H3,(H,28,29).
What are the key properties of 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 408.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 10112112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).