5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one

C16H17FN4O — CID 59300833

IUPAC5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2ccc(F)cn2)c2cc(N)c(N)cc21
InChIInChI=1S/C16H17FN4O/c1-16(2)11-5-12(18)13(19)6-14(11)21(15(16)22)8-10-4-3-9(17)7-20-10/h3-7H,8,18-19H2,1-2H3
InChIKeyHZGDXBUANPFADQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.21
Rot. Bonds2

About 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one

5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one (PubChem CID 59300833) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one
PubChem CID59300833
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(Cc2ccc(F)cn2)c2cc(N)c(N)cc21
InChIInChI=1S/C16H17FN4O/c1-16(2)11-5-12(18)13(19)6-14(11)21(15(16)22)8-10-4-3-9(17)7-20-10/h3-7H,8,18-19H2,1-2H3
InChIKeyHZGDXBUANPFADQ-UHFFFAOYSA-N
XLogP2.21
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one?
The IUPAC name of 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one (CID 59300833) is 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one is CC1(C)C(=O)N(Cc2ccc(F)cn2)c2cc(N)c(N)cc21.
What is the InChIKey of 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one?
The InChIKey is HZGDXBUANPFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-16(2)11-5-12(18)13(19)6-14(11)21(15(16)22)8-10-4-3-9(17)7-20-10/h3-7H,8,18-19H2,1-2H3.
What are the key properties of 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one?
5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one has a molecular weight of 300.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-[(5-fluoro-2-pyridinyl)methyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 59300833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).