N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline

C26H17F3N4 — CID 142534458

IUPACN-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline
SMILESC=C(Nc1ccc(F)cc1)c1cccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)n1
InChIInChI=1S/C26H17F3N4/c1-16(31-18-12-10-17(27)11-13-18)22-8-3-9-23(32-22)19-6-4-14-33-24(19)15-30-26(33)20-5-2-7-21(28)25(20)29/h2-15,31H,1H2
InChIKeyMZRQJZORPBHEGY-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.56
Rot. Bonds5

About N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline

N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline (PubChem CID 142534458) has the molecular formula C26H17F3N4 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline
PubChem CID142534458
Molecular FormulaC26H17F3N4
Molecular Weight442.44 g/mol
Exact Mass442.14
IUPAC NameN-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline
SMILESC=C(Nc1ccc(F)cc1)c1cccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)n1
InChIInChI=1S/C26H17F3N4/c1-16(31-18-12-10-17(27)11-13-18)22-8-3-9-23(32-22)19-6-4-14-33-24(19)15-30-26(33)20-5-2-7-21(28)25(20)29/h2-15,31H,1H2
InChIKeyMZRQJZORPBHEGY-UHFFFAOYSA-N
XLogP6.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline?
The IUPAC name of N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline (CID 142534458) is N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline?
The canonical SMILES for N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline is C=C(Nc1ccc(F)cc1)c1cccc(-c2cccn3c(-c4cccc(F)c4F)ncc23)n1.
What is the InChIKey of N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline?
The InChIKey is MZRQJZORPBHEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4/c1-16(31-18-12-10-17(27)11-13-18)22-8-3-9-23(32-22)19-6-4-14-33-24(19)15-30-26(33)20-5-2-7-21(28)25(20)29/h2-15,31H,1H2.
What are the key properties of N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline?
N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline has a molecular weight of 442.44 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-pyridinyl]ethenyl]-4-fluoroaniline is sourced from PubChem (CID 142534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).