3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one

C15H13F2N3O — CID 104821989

IUPAC3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3c(F)cc(F)cc32)cn1
InChIInChI=1S/C15H13F2N3O/c1-8-2-3-9(6-19-8)7-20-12-5-10(16)4-11(17)13(12)14(18)15(20)21/h2-6,14H,7,18H2,1H3
InChIKeyLUEUYMMIRINFSJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.21
Rot. Bonds2

About 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one

3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one (PubChem CID 104821989) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one
PubChem CID104821989
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3c(F)cc(F)cc32)cn1
InChIInChI=1S/C15H13F2N3O/c1-8-2-3-9(6-19-8)7-20-12-5-10(16)4-11(17)13(12)14(18)15(20)21/h2-6,14H,7,18H2,1H3
InChIKeyLUEUYMMIRINFSJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-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 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one (CID 104821989) is 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one is Cc1ccc(CN2C(=O)C(N)c3c(F)cc(F)cc32)cn1.
What is the InChIKey of 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one?
The InChIKey is LUEUYMMIRINFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-8-2-3-9(6-19-8)7-20-12-5-10(16)4-11(17)13(12)14(18)15(20)21/h2-6,14H,7,18H2,1H3.
What are the key properties of 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one?
3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one has a molecular weight of 289.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-difluoro-1-[(6-methyl-3-pyridinyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 104821989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).