2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine

C25H24N4O — CID 162285797

IUPAC2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(C4=CN5CC=CC=C5N4C)c3)c2)n1
InChIInChI=1S/C25H24N4O/c1-18-14-19(2)29(26-18)21-9-7-11-23(16-21)30-22-10-6-8-20(15-22)24-17-28-13-5-4-12-25(28)27(24)3/h4-12,14-17H,13H2,1-3H3
InChIKeyUJBSMAGULKBWTO-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.24
Rot. Bonds4

About 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine

2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine (PubChem CID 162285797) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
PubChem CID162285797
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(C4=CN5CC=CC=C5N4C)c3)c2)n1
InChIInChI=1S/C25H24N4O/c1-18-14-19(2)29(26-18)21-9-7-11-23(16-21)30-22-10-6-8-20(15-22)24-17-28-13-5-4-12-25(28)27(24)3/h4-12,14-17H,13H2,1-3H3
InChIKeyUJBSMAGULKBWTO-UHFFFAOYSA-N
XLogP5.24
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
CID 162285696
2-[3-(1-methyl-5H-imidazo[1,2-a]pyridin-2-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 162281126
2-[3-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-propan-2-yl-4H-indazole
CID 162285263
(3aS,8bR)-2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 170932678
3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum
CID 158313389
2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716419
1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole
CID 175851025
4-tert-butyl-2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716395
2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine
CID 140717143
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-10-pyridin-2-ylspiro[acridine-9,9'-fluorene]
CID 160756460
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 16640536

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine (CID 162285797) is 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine is Cc1cc(C)n(-c2cccc(Oc3cccc(C4=CN5CC=CC=C5N4C)c3)c2)n1.
What is the InChIKey of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The InChIKey is UJBSMAGULKBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-14-19(2)29(26-18)21-9-7-11-23(16-21)30-22-10-6-8-20(15-22)24-17-28-13-5-4-12-25(28)27(24)3/h4-12,14-17H,13H2,1-3H3.
What are the key properties of 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine has a molecular weight of 396.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 162285797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).