4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide

C23H18FN5O3 — CID 90157300

IUPAC4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCOc5cc(F)ccc54)cn23)cc1
InChIInChI=1S/C23H18FN5O3/c1-25-22(30)15-4-2-14(3-5-15)19-11-27-21-12-26-17(13-29(19)21)23(31)28-8-9-32-20-10-16(24)6-7-18(20)28/h2-7,10-13H,8-9H2,1H3,(H,25,30)
InChIKeyULWGROBLDWJHDV-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.93
Rot. Bonds3

About 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide

4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide (PubChem CID 90157300) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide
PubChem CID90157300
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCOc5cc(F)ccc54)cn23)cc1
InChIInChI=1S/C23H18FN5O3/c1-25-22(30)15-4-2-14(3-5-15)19-11-27-21-12-26-17(13-29(19)21)23(31)28-8-9-32-20-10-16(24)6-7-18(20)28/h2-7,10-13H,8-9H2,1H3,(H,25,30)
InChIKeyULWGROBLDWJHDV-UHFFFAOYSA-N
XLogP2.93
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide (CID 90157300) is 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N4CCOc5cc(F)ccc54)cn23)cc1.
What is the InChIKey of 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide?
The InChIKey is ULWGROBLDWJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-25-22(30)15-4-2-14(3-5-15)19-11-27-21-12-26-17(13-29(19)21)23(31)28-8-9-32-20-10-16(24)6-7-18(20)28/h2-7,10-13H,8-9H2,1H3,(H,25,30).
What are the key properties of 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide?
4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide has a molecular weight of 431.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)imidazo[1,2-a]pyrazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 90157300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).