8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C19H14FN7 — CID 86566406

IUPAC8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cn[nH]c3)nc21
InChIInChI=1S/C19H14FN7/c1-11(13-5-12-3-2-4-21-17(12)15(20)6-13)27-10-23-18-19(27)26-16(9-22-18)14-7-24-25-8-14/h2-11H,1H3,(H,24,25)
InChIKeyCEQIRFUMOKJDNO-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.51
Rot. Bonds3

About 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 86566406) has the molecular formula C19H14FN7 and a molecular weight of 359.37 g/mol. Its IUPAC name is 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID86566406
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cn[nH]c3)nc21
InChIInChI=1S/C19H14FN7/c1-11(13-5-12-3-2-4-21-17(12)15(20)6-13)27-10-23-18-19(27)26-16(9-22-18)14-7-24-25-8-14/h2-11H,1H3,(H,24,25)
InChIKeyCEQIRFUMOKJDNO-UHFFFAOYSA-N
XLogP3.51
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 86566406) is 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cn[nH]c3)nc21.
What is the InChIKey of 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is CEQIRFUMOKJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c1-11(13-5-12-3-2-4-21-17(12)15(20)6-13)27-10-23-18-19(27)26-16(9-22-18)14-7-24-25-8-14/h2-11H,1H3,(H,24,25).
What are the key properties of 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 359.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[1-[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 86566406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).