4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C18H20FN7O2 — CID 58507890

IUPAC4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESFc1ccc2[nH]ncc2c1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN7O2/c19-13-1-2-14-12(11-20-24-14)15(13)16-21-17(25-3-7-27-8-4-25)23-18(22-16)26-5-9-28-10-6-26/h1-2,11H,3-10H2,(H,20,24)
InChIKeyAUDWQAQSQRIILD-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.23
Rot. Bonds3

About 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 58507890) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID58507890
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESFc1ccc2[nH]ncc2c1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN7O2/c19-13-1-2-14-12(11-20-24-14)15(13)16-21-17(25-3-7-27-8-4-25)23-18(22-16)26-5-9-28-10-6-26/h1-2,11H,3-10H2,(H,20,24)
InChIKeyAUDWQAQSQRIILD-UHFFFAOYSA-N
XLogP1.23
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 58507890) is 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Fc1ccc2[nH]ncc2c1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is AUDWQAQSQRIILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2/c19-13-1-2-14-12(11-20-24-14)15(13)16-21-17(25-3-7-27-8-4-25)23-18(22-16)26-5-9-28-10-6-26/h1-2,11H,3-10H2,(H,20,24).
What are the key properties of 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 385.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58507890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).