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

C20H15F2N7 — CID 141370291

IUPAC5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C20H15F2N7/c1-11(17-14(21)6-15-13(18(17)22)4-3-5-23-15)29-10-25-19-20(29)27-16(8-24-19)12-7-26-28(2)9-12/h3-11H,1-2H3
InChIKeyHNTKBDBAZHXSLC-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.66
Rot. Bonds3

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

5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 141370291) has the molecular formula C20H15F2N7 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID141370291
Molecular FormulaC20H15F2N7
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C20H15F2N7/c1-11(17-14(21)6-15-13(18(17)22)4-3-5-23-15)29-10-25-19-20(29)27-16(8-24-19)12-7-26-28(2)9-12/h3-11H,1-2H3
InChIKeyHNTKBDBAZHXSLC-UHFFFAOYSA-N
XLogP3.66
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
CID 141370388
2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 155557617
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 175322316
6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline
CID 86566424
2-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]isoindole-1,3-dione
CID 141370379
6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 86566369
6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
CID 141370285
3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 69077400
N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 155149959

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 141370291) is 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(C)c3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is HNTKBDBAZHXSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7/c1-11(17-14(21)6-15-13(18(17)22)4-3-5-23-15)29-10-25-19-20(29)27-16(8-24-19)12-7-26-28(2)9-12/h3-11H,1-2H3.
What are the key properties of 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 391.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 141370291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).