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

C19H18FN5O2 — CID 122515764

IUPAC3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)cn3)C2=O)ccc1F
InChIInChI=1S/C19H18FN5O2/c1-27-17-8-14(3-4-15(17)20)24-16-6-7-25(19(16)26)18-5-2-12(9-21-18)13-10-22-23-11-13/h2-5,8-11,16,24H,6-7H2,1H3,(H,22,23)
InChIKeyDWTITUPIRYVDDS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.84
Rot. Bonds5

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

3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 122515764) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID122515764
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)cn3)C2=O)ccc1F
InChIInChI=1S/C19H18FN5O2/c1-27-17-8-14(3-4-15(17)20)24-16-6-7-25(19(16)26)18-5-2-12(9-21-18)13-10-22-23-11-13/h2-5,8-11,16,24H,6-7H2,1H3,(H,22,23)
InChIKeyDWTITUPIRYVDDS-UHFFFAOYSA-N
XLogP2.84
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.84
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-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (CID 122515764) is 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is COc1cc(NC2CCN(c3ccc(-c4cn[nH]c4)cn3)C2=O)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is DWTITUPIRYVDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-27-17-8-14(3-4-15(17)20)24-16-6-7-25(19(16)26)18-5-2-12(9-21-18)13-10-22-23-11-13/h2-5,8-11,16,24H,6-7H2,1H3,(H,22,23).
What are the key properties of 3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
3-(4-fluoro-3-methoxyanilino)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 367.38 g/mol, XLogP of 2.84, 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-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 122515764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).