3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine

C27H18F4N6 — CID 135249455

IUPAC3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine
SMILESFC(F)n1cc(-c2ccc(-c3cccn4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)c34)cc2)cn1
InChIInChI=1S/C27H18F4N6/c28-26(29)36-15-21(12-32-36)17-3-7-19(8-4-17)23-2-1-11-35-25(23)24(14-34-35)20-9-5-18(6-10-20)22-13-33-37(16-22)27(30)31/h1-16,26-27H
InChIKeyXYECKZWSWQUEBU-UHFFFAOYSA-N
MW502.48 g/mol
LogP7.19
Rot. Bonds6

About 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine

3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 135249455) has the molecular formula C27H18F4N6 and a molecular weight of 502.48 g/mol. Its IUPAC name is 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine
PubChem CID135249455
Molecular FormulaC27H18F4N6
Molecular Weight502.48 g/mol
Exact Mass502.15
IUPAC Name3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine
SMILESFC(F)n1cc(-c2ccc(-c3cccn4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)c34)cc2)cn1
InChIInChI=1S/C27H18F4N6/c28-26(29)36-15-21(12-32-36)17-3-7-19(8-4-17)23-2-1-11-35-25(23)24(14-34-35)20-9-5-18(6-10-20)22-13-33-37(16-22)27(30)31/h1-16,26-27H
InChIKeyXYECKZWSWQUEBU-UHFFFAOYSA-N
XLogP7.19
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine (CID 135249455) is 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine is FC(F)n1cc(-c2ccc(-c3cccn4ncc(-c5ccc(-c6cnn(C(F)F)c6)cc5)c34)cc2)cn1.
What is the InChIKey of 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is XYECKZWSWQUEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N6/c28-26(29)36-15-21(12-32-36)17-3-7-19(8-4-17)23-2-1-11-35-25(23)24(14-34-35)20-9-5-18(6-10-20)22-13-33-37(16-22)27(30)31/h1-16,26-27H.
What are the key properties of 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine?
3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 502.48 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 135249455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).