5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine

C27H18F4N6O — CID 135260526

IUPAC5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)n1cc(-c2ccc(Oc3cccc4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)cn1
InChIInChI=1S/C27H18F4N6O/c28-26(29)35-15-20(12-33-35)17-4-6-19(7-5-17)23-14-32-24-2-1-3-25(37(23)24)38-22-10-8-18(9-11-22)21-13-34-36(16-21)27(30)31/h1-16,26-27H
InChIKeyVEJOXGZXWMGWMJ-UHFFFAOYSA-N
MW518.47 g/mol
LogP7.31
Rot. Bonds7

About 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine

5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 135260526) has the molecular formula C27H18F4N6O and a molecular weight of 518.47 g/mol. Its IUPAC name is 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID135260526
Molecular FormulaC27H18F4N6O
Molecular Weight518.47 g/mol
Exact Mass518.15
IUPAC Name5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)n1cc(-c2ccc(Oc3cccc4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)cn1
InChIInChI=1S/C27H18F4N6O/c28-26(29)35-15-20(12-33-35)17-4-6-19(7-5-17)23-14-32-24-2-1-3-25(37(23)24)38-22-10-8-18(9-11-22)21-13-34-36(16-21)27(30)31/h1-16,26-27H
InChIKeyVEJOXGZXWMGWMJ-UHFFFAOYSA-N
XLogP7.31
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.47
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine (CID 135260526) is 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine is FC(F)n1cc(-c2ccc(Oc3cccc4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)n34)cc2)cn1.
What is the InChIKey of 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is VEJOXGZXWMGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N6O/c28-26(29)35-15-20(12-33-35)17-4-6-19(7-5-17)23-14-32-24-2-1-3-25(37(23)24)38-22-10-8-18(9-11-22)21-13-34-36(16-21)27(30)31/h1-16,26-27H.
What are the key properties of 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine?
5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 518.47 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135260526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).