3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one

C19H15ClN4O3S — CID 133081100

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one
SMILESCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccoc3)n2)c1=O
InChIInChI=1S/C19H15ClN4O3S/c1-23-7-2-3-14(19(23)26)15-9-17(21-10-13-4-5-16(20)28-13)24(22-15)18(25)12-6-8-27-11-12/h2-9,11,21H,10H2,1H3
InChIKeyAJFWSHCJQZKNMM-UHFFFAOYSA-N
MW414.87 g/mol
LogP3.86
Rot. Bonds5

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one (PubChem CID 133081100) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one
PubChem CID133081100
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one
SMILESCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccoc3)n2)c1=O
InChIInChI=1S/C19H15ClN4O3S/c1-23-7-2-3-14(19(23)26)15-9-17(21-10-13-4-5-16(20)28-13)24(22-15)18(25)12-6-8-27-11-12/h2-9,11,21H,10H2,1H3
InChIKeyAJFWSHCJQZKNMM-UHFFFAOYSA-N
XLogP3.86
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

US9687479, 288 N-[(5-chlorothiophen-2-yl)methyl]-1-[(furan-3-yl)carbonyl]-3-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 133081358
US9687479, 294 N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-1-[(furan-3-yl)carbonyl]-3-(oxan-4-yl)-1H-pyrazol-5-amine
CID 86273629
US9687479, 263 tert-butyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166066
US9687479, 58 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetonitrile
CID 124166071
US9687479, 57 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetonitrile
CID 124166073
US9687479, 259 ethyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166074
US9687479, 4 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1,2-dihydropyridin-2-one
CID 133081097
US9687479, 5 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1-(thiophen-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081098
US9687479, 6 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1-(pyridin-4-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081099
3-(5-[(5-Chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1-(pyridin-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081101
3-(5-[(5-Chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1-(furan-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081102
US9687479, 29 1-[(2-chlorophenyl)methyl]-3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1,2-dihydropyridin-2-one
CID 133081105

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one (CID 133081100) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one is Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccoc3)n2)c1=O.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is AJFWSHCJQZKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-23-7-2-3-14(19(23)26)15-9-17(21-10-13-4-5-16(20)28-13)24(22-15)18(25)12-6-8-27-11-12/h2-9,11,21H,10H2,1H3.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one?
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 414.87 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 133081100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).