(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione

C19H15F2N5O2 — CID 98234939

IUPAC(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C19H15F2N5O2/c1-10-17(18(22)26(24-10)15-4-2-3-7-23-15)12-9-16(27)25(19(12)28)11-5-6-13(20)14(21)8-11/h2-8,12H,9,22H2,1H3/t12-/m1/s1
InChIKeyJVGIXJUSYUBRCM-GFCCVEGCSA-N
MW383.36 g/mol
LogP2.48
Rot. Bonds3

About (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione

(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (PubChem CID 98234939) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
PubChem CID98234939
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C19H15F2N5O2/c1-10-17(18(22)26(24-10)15-4-2-3-7-23-15)12-9-16(27)25(19(12)28)11-5-6-13(20)14(21)8-11/h2-8,12H,9,22H2,1H3/t12-/m1/s1
InChIKeyJVGIXJUSYUBRCM-GFCCVEGCSA-N
XLogP2.48
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98234962
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 56762027
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(2,6-difluorophenyl)pyrrolidine-2,5-dione
CID 98234503
(3S)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 95391005
(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
CID 95391546
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 17035942
3-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,5-dioxopyrrolidin-1-yl]-4-methoxybenzoic acid
CID 52996793
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 65430330
1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
CID 17035935
(3S)-1-(3,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 29158192
(4R)-4-(2,3-difluorophenyl)-3-methyl-1-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669694

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione (CID 98234939) is (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is JVGIXJUSYUBRCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-10-17(18(22)26(24-10)15-4-2-3-7-23-15)12-9-16(27)25(19(12)28)11-5-6-13(20)14(21)8-11/h2-8,12H,9,22H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 383.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98234939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).