(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one

C18H15BrFN3O2 — CID 122601766

IUPAC(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one
SMILESCc1nc2ccc(Br)cn2c1CN1C(=O)[C@@H](C)Oc2c(F)cccc21
InChIInChI=1S/C18H15BrFN3O2/c1-10-15(22-8-12(19)6-7-16(22)21-10)9-23-14-5-3-4-13(20)17(14)25-11(2)18(23)24/h3-8,11H,9H2,1-2H3/t11-/m1/s1
InChIKeyYDHFTVYBVCFCMW-LLVKDONJSA-N
MW404.24 g/mol
LogP3.86
Rot. Bonds2

About (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one

(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one (PubChem CID 122601766) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one
PubChem CID122601766
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one
SMILESCc1nc2ccc(Br)cn2c1CN1C(=O)[C@@H](C)Oc2c(F)cccc21
InChIInChI=1S/C18H15BrFN3O2/c1-10-15(22-8-12(19)6-7-16(22)21-10)9-23-14-5-3-4-13(20)17(14)25-11(2)18(23)24/h3-8,11H,9H2,1-2H3/t11-/m1/s1
InChIKeyYDHFTVYBVCFCMW-LLVKDONJSA-N
XLogP3.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one (CID 122601766) is (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one is Cc1nc2ccc(Br)cn2c1CN1C(=O)[C@@H](C)Oc2c(F)cccc21.
What is the InChIKey of (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is YDHFTVYBVCFCMW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-10-15(22-8-12(19)6-7-16(22)21-10)9-23-14-5-3-4-13(20)17(14)25-11(2)18(23)24/h3-8,11H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one?
(2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 404.24 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 122601766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).