N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide

C17H19FN4O2 — CID 164633903

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)cnn1C
InChIInChI=1S/C17H19FN4O2/c1-10-11(8-19-22(10)3)9-21(2)15(23)7-13-12-5-4-6-14(18)16(12)20-17(13)24/h4-6,8,13H,7,9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyYTZZMAZCCHKAJU-ZDUSSCGKSA-N
MW330.36 g/mol
LogP1.95
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide (PubChem CID 164633903) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide
PubChem CID164633903
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)cnn1C
InChIInChI=1S/C17H19FN4O2/c1-10-11(8-19-22(10)3)9-21(2)15(23)7-13-12-5-4-6-14(18)16(12)20-17(13)24/h4-6,8,13H,7,9H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyYTZZMAZCCHKAJU-ZDUSSCGKSA-N
XLogP1.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide (CID 164633903) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide is Cc1c(CN(C)C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide?
The InChIKey is YTZZMAZCCHKAJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10-11(8-19-22(10)3)9-21(2)15(23)7-13-12-5-4-6-14(18)16(12)20-17(13)24/h4-6,8,13H,7,9H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide has a molecular weight of 330.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(3S)-7-fluoro-2-oxo-1,3-dihydroindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 164633903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).