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

C19H18FN5O3 — CID 145153544

IUPAC3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1nc(N2CCC(Nc3ccc(F)c(O)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18FN5O3/c1-28-18-13(11-9-21-22-10-11)3-5-17(24-18)25-7-6-15(19(25)27)23-12-2-4-14(20)16(26)8-12/h2-5,8-10,15,23,26H,6-7H2,1H3,(H,21,22)
InChIKeyVGXZPPFCOQVMQT-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.54
Rot. Bonds5

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

3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 145153544) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID145153544
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1nc(N2CCC(Nc3ccc(F)c(O)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18FN5O3/c1-28-18-13(11-9-21-22-10-11)3-5-17(24-18)25-7-6-15(19(25)27)23-12-2-4-14(20)16(26)8-12/h2-5,8-10,15,23,26H,6-7H2,1H3,(H,21,22)
InChIKeyVGXZPPFCOQVMQT-UHFFFAOYSA-N
XLogP2.54
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one (CID 145153544) is 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is COc1nc(N2CCC(Nc3ccc(F)c(O)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is VGXZPPFCOQVMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-28-18-13(11-9-21-22-10-11)3-5-17(24-18)25-7-6-15(19(25)27)23-12-2-4-14(20)16(26)8-12/h2-5,8-10,15,23,26H,6-7H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one?
3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 383.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-hydroxyanilino)-1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 145153544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).