7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline

C22H17FN10 — CID 141456412

IUPAC7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cn[nH]c1
InChIInChI=1S/C22H17FN10/c1-11(19-20(14-7-25-26-8-14)29-22-21(28-19)30-32-31-22)16-4-12-3-13(15-9-27-33(2)10-15)6-24-18(12)5-17(16)23/h3-11H,1-2H3,(H,25,26)(H,28,29,30,31,32)
InChIKeyIJXMSGDNGDSLFZ-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.38
Rot. Bonds4

About 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline

7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline (PubChem CID 141456412) has the molecular formula C22H17FN10 and a molecular weight of 440.45 g/mol. Its IUPAC name is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
PubChem CID141456412
Molecular FormulaC22H17FN10
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
SMILESCC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cn[nH]c1
InChIInChI=1S/C22H17FN10/c1-11(19-20(14-7-25-26-8-14)29-22-21(28-19)30-32-31-22)16-4-12-3-13(15-9-27-33(2)10-15)6-24-18(12)5-17(16)23/h3-11H,1-2H3,(H,25,26)(H,28,29,30,31,32)
InChIKeyIJXMSGDNGDSLFZ-UHFFFAOYSA-N
XLogP3.38
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The IUPAC name of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline (CID 141456412) is 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline.
What is the SMILES notation for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The canonical SMILES for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is CC(c1cc2cc(-c3cnn(C)c3)cnc2cc1F)c1nc2n[nH]nc2nc1-c1cn[nH]c1.
What is the InChIKey of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
The InChIKey is IJXMSGDNGDSLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN10/c1-11(19-20(14-7-25-26-8-14)29-22-21(28-19)30-32-31-22)16-4-12-3-13(15-9-27-33(2)10-15)6-24-18(12)5-17(16)23/h3-11H,1-2H3,(H,25,26)(H,28,29,30,31,32).
What are the key properties of 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline?
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline has a molecular weight of 440.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1H-pyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline is sourced from PubChem (CID 141456412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).