4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine

C17H16BrFN4O — CID 118651848

IUPAC4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21
InChIInChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3
InChIKeyNBLCFYONVXFOGH-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.37
Rot. Bonds2

About 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 118651848) has the molecular formula C17H16BrFN4O and a molecular weight of 391.24 g/mol. Its IUPAC name is 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
PubChem CID118651848
Molecular FormulaC17H16BrFN4O
Molecular Weight391.24 g/mol
Exact Mass390.05
IUPAC Name4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21
InChIInChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3
InChIKeyNBLCFYONVXFOGH-UHFFFAOYSA-N
XLogP3.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine (CID 118651848) is 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine is Cn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)c(F)cc21.
What is the InChIKey of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is NBLCFYONVXFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O/c1-22-15-10-14(19)13(18)9-12(15)17(21-22)11-2-3-20-16(8-11)23-4-6-24-7-5-23/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 391.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 118651848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).