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

C21H18FN7 — CID 155549474

IUPAC7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
SMILESCCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C21H18FN7/c1-3-19(15-7-13-5-4-6-23-17(13)8-16(15)22)29-12-25-20-21(29)27-18(10-24-20)14-9-26-28(2)11-14/h4-12,19H,3H2,1-2H3
InChIKeyNCNWNGLPCAPMQQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.91
Rot. Bonds4

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

7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline (PubChem CID 155549474) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
PubChem CID155549474
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
SMILESCCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C21H18FN7/c1-3-19(15-7-13-5-4-6-23-17(13)8-16(15)22)29-12-25-20-21(29)27-18(10-24-20)14-9-26-28(2)11-14/h4-12,19H,3H2,1-2H3
InChIKeyNCNWNGLPCAPMQQ-UHFFFAOYSA-N
XLogP3.91
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.91
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]propyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline (CID 155549474) is 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline is CCC(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]propyl]quinoline?
The InChIKey is NCNWNGLPCAPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c1-3-19(15-7-13-5-4-6-23-17(13)8-16(15)22)29-12-25-20-21(29)27-18(10-24-20)14-9-26-28(2)11-14/h4-12,19H,3H2,1-2H3.
What are the key properties of 7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline?
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline has a molecular weight of 387.42 g/mol, XLogP of 3.91, 4 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]propyl]quinoline is sourced from PubChem (CID 155549474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).