(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C17H17FN4O2 — CID 110105506

IUPAC(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]1
InChIInChI=1S/C17H17FN4O2/c1-10-8-19-16(20-10)15-9-24-5-4-22(15)17(23)14-7-11-6-12(18)2-3-13(11)21-14/h2-3,6-8,15,21H,4-5,9H2,1H3,(H,19,20)
InChIKeyLXINGXKWFGBYPK-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.55
Rot. Bonds2

About (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 110105506) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID110105506
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]1
InChIInChI=1S/C17H17FN4O2/c1-10-8-19-16(20-10)15-9-24-5-4-22(15)17(23)14-7-11-6-12(18)2-3-13(11)21-14/h2-3,6-8,15,21H,4-5,9H2,1H3,(H,19,20)
InChIKeyLXINGXKWFGBYPK-UHFFFAOYSA-N
XLogP2.55
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 110105506) is (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc(C2COCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is LXINGXKWFGBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-8-19-16(20-10)15-9-24-5-4-22(15)17(23)14-7-11-6-12(18)2-3-13(11)21-14/h2-3,6-8,15,21H,4-5,9H2,1H3,(H,19,20).
What are the key properties of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 328.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110105506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).