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

C26H21N5O3 — CID 172830437

IUPAC3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=C(c1cc(NCc2ccccc2)n(-c2cccn(Cc3ccccn3)c2=O)n1)c1ccco1
InChIInChI=1S/C26H21N5O3/c32-25(23-12-7-15-34-23)21-16-24(28-17-19-8-2-1-3-9-19)31(29-21)22-11-6-14-30(26(22)33)18-20-10-4-5-13-27-20/h1-16,28H,17-18H2
InChIKeyVLCSTAVEHFNDOE-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.91
Rot. Bonds8

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

3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 172830437) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
PubChem CID172830437
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESO=C(c1cc(NCc2ccccc2)n(-c2cccn(Cc3ccccn3)c2=O)n1)c1ccco1
InChIInChI=1S/C26H21N5O3/c32-25(23-12-7-15-34-23)21-16-24(28-17-19-8-2-1-3-9-19)31(29-21)22-11-6-14-30(26(22)33)18-20-10-4-5-13-27-20/h1-16,28H,17-18H2
InChIKeyVLCSTAVEHFNDOE-UHFFFAOYSA-N
XLogP3.91
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-morpholin-4-ylbenzoyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 172852338
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 133081249
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989
N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
CID 630769
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 130423033
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
3-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 135334165
3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108630872
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
furan-2-yl-[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 131639426
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924

Frequently Asked Questions

What is the IUPAC name of 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 172830437) is 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is O=C(c1cc(NCc2ccccc2)n(-c2cccn(Cc3ccccn3)c2=O)n1)c1ccco1.
What is the InChIKey of 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
The InChIKey is VLCSTAVEHFNDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c32-25(23-12-7-15-34-23)21-16-24(28-17-19-8-2-1-3-9-19)31(29-21)22-11-6-14-30(26(22)33)18-20-10-4-5-13-27-20/h1-16,28H,17-18H2.
What are the key properties of 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?
3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 451.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 172830437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).