4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline

C23H19FN6 — CID 90176079

IUPAC4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline
SMILESCN(Cc1cn2c(-c3ccc(-n4cccn4)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN6/c1-28(20-9-5-18(24)6-10-20)15-19-16-29-22(13-26-23(29)14-25-19)17-3-7-21(8-4-17)30-12-2-11-27-30/h2-14,16H,15H2,1H3
InChIKeyHCTIDSBZIJADNX-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.36
Rot. Bonds5

About 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline

4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline (PubChem CID 90176079) has the molecular formula C23H19FN6 and a molecular weight of 398.45 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline
PubChem CID90176079
Molecular FormulaC23H19FN6
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline
SMILESCN(Cc1cn2c(-c3ccc(-n4cccn4)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN6/c1-28(20-9-5-18(24)6-10-20)15-19-16-29-22(13-26-23(29)14-25-19)17-3-7-21(8-4-17)30-12-2-11-27-30/h2-14,16H,15H2,1H3
InChIKeyHCTIDSBZIJADNX-UHFFFAOYSA-N
XLogP4.36
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline (CID 90176079) is 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline is CN(Cc1cn2c(-c3ccc(-n4cccn4)cc3)cnc2cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline?
The InChIKey is HCTIDSBZIJADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6/c1-28(20-9-5-18(24)6-10-20)15-19-16-29-22(13-26-23(29)14-25-19)17-3-7-21(8-4-17)30-12-2-11-27-30/h2-14,16H,15H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline has a molecular weight of 398.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[3-(4-pyrazol-1-ylphenyl)imidazo[1,2-a]pyrazin-6-yl]methyl]aniline is sourced from PubChem (CID 90176079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).