(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one

C19H19BrN4O2 — CID 129388760

IUPAC(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one
SMILESCn1nc(Nc2cccc([C@@]3(C)COCC(=O)N3)c2)c2ccc(Br)cc21
InChIInChI=1S/C19H19BrN4O2/c1-19(11-26-10-17(25)22-19)12-4-3-5-14(8-12)21-18-15-7-6-13(20)9-16(15)24(2)23-18/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25)/t19-/m1/s1
InChIKeyYHQXLQXYZAISKK-LJQANCHMSA-N
MW415.29 g/mol
LogP3.44
Rot. Bonds3

About (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one

(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one (PubChem CID 129388760) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one
PubChem CID129388760
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one
SMILESCn1nc(Nc2cccc([C@@]3(C)COCC(=O)N3)c2)c2ccc(Br)cc21
InChIInChI=1S/C19H19BrN4O2/c1-19(11-26-10-17(25)22-19)12-4-3-5-14(8-12)21-18-15-7-6-13(20)9-16(15)24(2)23-18/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25)/t19-/m1/s1
InChIKeyYHQXLQXYZAISKK-LJQANCHMSA-N
XLogP3.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one?
The IUPAC name of (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one (CID 129388760) is (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one.
What is the SMILES notation for (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one?
The canonical SMILES for (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one is Cn1nc(Nc2cccc([C@@]3(C)COCC(=O)N3)c2)c2ccc(Br)cc21.
What is the InChIKey of (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one?
The InChIKey is YHQXLQXYZAISKK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-19(11-26-10-17(25)22-19)12-4-3-5-14(8-12)21-18-15-7-6-13(20)9-16(15)24(2)23-18/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25)/t19-/m1/s1.
What are the key properties of (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one?
(5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one has a molecular weight of 415.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(6-bromo-1-methylindazol-3-yl)amino]phenyl]-5-methylmorpholin-3-one is sourced from PubChem (CID 129388760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).