4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C20H19FN6O — CID 118930309

IUPAC4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2cc(F)c3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H19FN6O/c1-25-13-15(11-23-25)14-8-18(21)17-12-24-27(19(17)9-14)16-2-3-22-20(10-16)26-4-6-28-7-5-26/h2-3,8-13H,4-7H2,1H3
InChIKeyHDVHEXITTJIFQF-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.80
Rot. Bonds3

About 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118930309) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118930309
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2cc(F)c3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H19FN6O/c1-25-13-15(11-23-25)14-8-18(21)17-12-24-27(19(17)9-14)16-2-3-22-20(10-16)26-4-6-28-7-5-26/h2-3,8-13H,4-7H2,1H3
InChIKeyHDVHEXITTJIFQF-UHFFFAOYSA-N
XLogP2.80
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118930309) is 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is Cn1cc(-c2cc(F)c3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is HDVHEXITTJIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-25-13-15(11-23-25)14-8-18(21)17-12-24-27(19(17)9-14)16-2-3-22-20(10-16)26-4-6-28-7-5-26/h2-3,8-13H,4-7H2,1H3.
What are the key properties of 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 378.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118930309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).