3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

C26H20FN5O3 — CID 133081161

IUPAC3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=C(c1ccco1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(F)cc1
InChIInChI=1S/C26H20FN5O3/c27-19-10-8-18(9-11-19)16-29-24-15-22(30-32(24)26(34)23-7-4-14-35-23)21-6-3-13-31(25(21)33)17-20-5-1-2-12-28-20/h1-15,29H,16-17H2
InChIKeyZBZYGHMLJRCGRB-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.19
Rot. Bonds7

About 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 133081161) has the molecular formula C26H20FN5O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
PubChem CID133081161
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC Name3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=C(c1ccco1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(F)cc1
InChIInChI=1S/C26H20FN5O3/c27-19-10-8-18(9-11-19)16-29-24-15-22(30-32(24)26(34)23-7-4-14-35-23)21-6-3-13-31(25(21)33)17-20-5-1-2-12-28-20/h1-15,29H,16-17H2
InChIKeyZBZYGHMLJRCGRB-UHFFFAOYSA-N
XLogP4.19
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 133081161) is 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is O=C(c1ccco1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The InChIKey is ZBZYGHMLJRCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3/c27-19-10-8-18(9-11-19)16-29-24-15-22(30-32(24)26(34)23-7-4-14-35-23)21-6-3-13-31(25(21)33)17-20-5-1-2-12-28-20/h1-15,29H,16-17H2.
What are the key properties of 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 469.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).