4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C20H20F2N4O2 — CID 85472083

IUPAC4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)=CCCOc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C20H20F2N4O2/c21-18(22)2-1-9-28-15-3-4-17-16(13-15)20(25-24-17)14-5-6-23-19(12-14)26-7-10-27-11-8-26/h2-6,12-13H,1,7-11H2,(H,24,25)
InChIKeyKFHSAPASLHYKKA-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.01
Rot. Bonds6

About 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 85472083) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID85472083
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)=CCCOc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C20H20F2N4O2/c21-18(22)2-1-9-28-15-3-4-17-16(13-15)20(25-24-17)14-5-6-23-19(12-14)26-7-10-27-11-8-26/h2-6,12-13H,1,7-11H2,(H,24,25)
InChIKeyKFHSAPASLHYKKA-UHFFFAOYSA-N
XLogP4.01
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 85472083) is 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine is FC(F)=CCCOc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is KFHSAPASLHYKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-18(22)2-1-9-28-15-3-4-17-16(13-15)20(25-24-17)14-5-6-23-19(12-14)26-7-10-27-11-8-26/h2-6,12-13H,1,7-11H2,(H,24,25).
What are the key properties of 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 386.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 85472083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).