5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C22H23FN4O2 — CID 170077007

IUPAC5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(-c4cc(C)c(C)c(N)n4)c(F)c3C2C)C(=O)N1
InChIInChI=1S/C22H23FN4O2/c1-10-9-16(26-20(24)12(10)3)14-6-7-15-18(19(14)23)13(4)27(22(15)29)17-8-5-11(2)25-21(17)28/h6-7,9,13,17H,2,5,8H2,1,3-4H3,(H2,24,26)(H,25,28)
InChIKeyIUEBHHNIJOAMOS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.40
Rot. Bonds2

About 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 170077007) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID170077007
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(-c4cc(C)c(C)c(N)n4)c(F)c3C2C)C(=O)N1
InChIInChI=1S/C22H23FN4O2/c1-10-9-16(26-20(24)12(10)3)14-6-7-15-18(19(14)23)13(4)27(22(15)29)17-8-5-11(2)25-21(17)28/h6-7,9,13,17H,2,5,8H2,1,3-4H3,(H2,24,26)(H,25,28)
InChIKeyIUEBHHNIJOAMOS-UHFFFAOYSA-N
XLogP3.40
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165386856
(3S)-3-[5-[4-(6-amino-4,5-dimethyl-2-pyridinyl)-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione
CID 172581342
3-[7-fluoro-6-[4-[(3-hydroxypyrrolidin-1-yl)methyl]-2-pyridinyl]-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174189169
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
(3S)-3-[(1R)-7-fluoro-6-[4-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-pyridinyl]-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649515
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
CID 163428851
(3S)-3-[(1R)-7-fluoro-6-[4-[[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]methyl]-2-pyridinyl]-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174189142
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
3-[(1R)-7-fluoro-1-methyl-6-[4-[(1R,2R,3R)-2-methyl-3-piperidin-4-yloxycyclobutyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 171530185
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
3-[6-(4-fluoro-1,5-dimethyl-1,3-dihydroisoindole-2-carbonyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178033027

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 170077007) is 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(-c4cc(C)c(C)c(N)n4)c(F)c3C2C)C(=O)N1.
What is the InChIKey of 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is IUEBHHNIJOAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-10-9-16(26-20(24)12(10)3)14-6-7-15-18(19(14)23)13(4)27(22(15)29)17-8-5-11(2)25-21(17)28/h6-7,9,13,17H,2,5,8H2,1,3-4H3,(H2,24,26)(H,25,28).
What are the key properties of 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 394.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 170077007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).