6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

C21H16FN5 — CID 71666369

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESCN1C=C(C=N1)C2=CN3C(=CN=C3C(=C2)F)CC4=CC5=C(C=C4)N=CC=C5
InChIInChI=1S/C21H16FN5/c1-26-12-17(10-25-26)16-9-19(22)21-24-11-18(27(21)13-16)8-14-4-5-20-15(7-14)3-2-6-23-20/h2-7,9-13H,8H2,1H3
InChIKeyMSHBPDQSLWXXAL-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.00
Rot. Bonds3

About 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline

6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (PubChem CID 71666369) has the molecular formula C21H16FN5 and a molecular weight of 357.40 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
PubChem CID71666369
Molecular FormulaC21H16FN5
Molecular Weight357.40 g/mol
Exact Mass357.14
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
SMILESCN1C=C(C=N1)C2=CN3C(=CN=C3C(=C2)F)CC4=CC5=C(C=C4)N=CC=C5
InChIInChI=1S/C21H16FN5/c1-26-12-17(10-25-26)16-9-19(22)21-24-11-18(27(21)13-16)8-14-4-5-20-15(7-14)3-2-6-23-20/h2-7,9-13H,8H2,1H3
InChIKeyMSHBPDQSLWXXAL-UHFFFAOYSA-N
XLogP4.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity519

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline (CID 71666369) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is CN1C=C(C=N1)C2=CN3C(=CN=C3C(=C2)F)CC4=CC5=C(C=C4)N=CC=C5.
What is the InChIKey of 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
The InChIKey is MSHBPDQSLWXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5/c1-26-12-17(10-25-26)16-9-19(22)21-24-11-18(27(21)13-16)8-14-4-5-20-15(7-14)3-2-6-23-20/h2-7,9-13H,8H2,1H3.
What are the key properties of 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline?
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline has a molecular weight of 357.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 71666369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).