2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C24H20N6O — CID 10294883

IUPAC2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1
InChIInChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29)
InChIKeyHYDHOIPUKQMAHM-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.48
Rot. Bonds7

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

2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 10294883) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID10294883
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1
InChIInChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29)
InChIKeyHYDHOIPUKQMAHM-UHFFFAOYSA-N
XLogP4.48
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 10294883) is 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1.
What is the InChIKey of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is HYDHOIPUKQMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29).
What are the key properties of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 408.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-ylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 10294883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).