7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C20H16FN7 — CID 141370339

IUPAC7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C20H16FN7/c1-12(15-6-13-4-3-5-22-17(13)7-16(15)21)28-11-24-19-20(28)26-18(9-23-19)14-8-25-27(2)10-14/h3-12H,1-2H3
InChIKeySXWUXXWVCWEUTA-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.52
Rot. Bonds3

About 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 141370339) has the molecular formula C20H16FN7 and a molecular weight of 373.40 g/mol. Its IUPAC name is 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID141370339
Molecular FormulaC20H16FN7
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C20H16FN7/c1-12(15-6-13-4-3-5-22-17(13)7-16(15)21)28-11-24-19-20(28)26-18(9-23-19)14-8-25-27(2)10-14/h3-12H,1-2H3
InChIKeySXWUXXWVCWEUTA-UHFFFAOYSA-N
XLogP3.52
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 141370339) is 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21.
What is the InChIKey of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is SXWUXXWVCWEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7/c1-12(15-6-13-4-3-5-22-17(13)7-16(15)21)28-11-24-19-20(28)26-18(9-23-19)14-8-25-27(2)10-14/h3-12H,1-2H3.
What are the key properties of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 373.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 141370339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).