6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

C23H23FN4O4 — CID 147801255

IUPAC6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(c4nn(CCO)c5cc(F)ccc45)CC3)cc2N1
InChIInChI=1S/C23H23FN4O4/c24-16-2-3-17-19(12-16)28(9-10-29)26-22(17)14-5-7-27(8-6-14)23(31)15-1-4-20-18(11-15)25-21(30)13-32-20/h1-4,11-12,14,29H,5-10,13H2,(H,25,30)
InChIKeyHLOISPJSIAJESD-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.52
Rot. Bonds4

About 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 147801255) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID147801255
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)N3CCC(c4nn(CCO)c5cc(F)ccc45)CC3)cc2N1
InChIInChI=1S/C23H23FN4O4/c24-16-2-3-17-19(12-16)28(9-10-29)26-22(17)14-5-7-27(8-6-14)23(31)15-1-4-20-18(11-15)25-21(30)13-32-20/h1-4,11-12,14,29H,5-10,13H2,(H,25,30)
InChIKeyHLOISPJSIAJESD-UHFFFAOYSA-N
XLogP2.52
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138709360
2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
CID 150485482
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 96669404
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
6-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151978596
6-[4-[(S)-[3-(2-fluoroethoxy)phenyl]-(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151768251
6-[4-[[4-(2-fluoroethoxy)phenyl]-(4-fluorophenyl)methylidene]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155387229
methyl 4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808781
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110801782
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110805801
N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperazin-1-yl]propanamide
CID 55490182
4-[[1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methoxy]benzonitrile
CID 134226499

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one (CID 147801255) is 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(=O)N3CCC(c4nn(CCO)c5cc(F)ccc45)CC3)cc2N1.
What is the InChIKey of 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is HLOISPJSIAJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c24-16-2-3-17-19(12-16)28(9-10-29)26-22(17)14-5-7-27(8-6-14)23(31)15-1-4-20-18(11-15)25-21(30)13-32-20/h1-4,11-12,14,29H,5-10,13H2,(H,25,30).
What are the key properties of 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 438.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-fluoro-1-(2-hydroxyethyl)indazol-3-yl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 147801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).