3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

C20H20FN5O2 — CID 122515822

IUPAC3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)c(C)n3)C2=O)ccc1F
InChIInChI=1S/C20H20FN5O2/c1-12-15(13-10-22-23-11-13)4-6-19(24-12)26-8-7-17(20(26)27)25-14-3-5-16(21)18(9-14)28-2/h3-6,9-11,17,25H,7-8H2,1-2H3,(H,22,23)
InChIKeyOZYHSTIEUUQRKZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.15
Rot. Bonds5

About 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one

3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 122515822) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID122515822
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)c(C)n3)C2=O)ccc1F
InChIInChI=1S/C20H20FN5O2/c1-12-15(13-10-22-23-11-13)4-6-19(24-12)26-8-7-17(20(26)27)25-14-3-5-16(21)18(9-14)28-2/h3-6,9-11,17,25H,7-8H2,1-2H3,(H,22,23)
InChIKeyOZYHSTIEUUQRKZ-UHFFFAOYSA-N
XLogP3.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (CID 122515822) is 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is COc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)c(C)n3)C2=O)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is OZYHSTIEUUQRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12-15(13-10-22-23-11-13)4-6-19(24-12)26-8-7-17(20(26)27)25-14-3-5-16(21)18(9-14)28-2/h3-6,9-11,17,25H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 381.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 122515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).