1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one

C25H18Cl2N4O3S — CID 133081127

IUPAC1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
SMILESO=C(c1ccoc1)n1nc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C25H18Cl2N4O3S/c26-18-5-3-16(4-6-18)14-30-10-1-2-20(25(30)33)21-12-23(28-13-19-7-8-22(27)35-19)31(29-21)24(32)17-9-11-34-15-17/h1-12,15,28H,13-14H2
InChIKeyVSHNXXBDJPFEKI-UHFFFAOYSA-N
MW525.42 g/mol
LogP6.02
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one

1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one (PubChem CID 133081127) has the molecular formula C25H18Cl2N4O3S and a molecular weight of 525.42 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
PubChem CID133081127
Molecular FormulaC25H18Cl2N4O3S
Molecular Weight525.42 g/mol
Exact Mass524.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
SMILESO=C(c1ccoc1)n1nc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C25H18Cl2N4O3S/c26-18-5-3-16(4-6-18)14-30-10-1-2-20(25(30)33)21-12-23(28-13-19-7-8-22(27)35-19)31(29-21)24(32)17-9-11-34-15-17/h1-12,15,28H,13-14H2
InChIKeyVSHNXXBDJPFEKI-UHFFFAOYSA-N
XLogP6.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.42
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-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

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, 284 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(oxan-4-yl)-1H-pyrazol-5-amine
CID 133081355
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, 258 ethyl 2-[3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(2-methoxyphenyl)carbonyl]-1H-pyrazol-3-yl)-2-oxo-1,2-dihydropyridin-1-yl]acetate
CID 124166078
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
US9687479, 23 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-[(furan-3-yl)carbonyl]-1H-pyrazol-3-yl)-1-methyl-1,2-dihydropyridin-2-one
CID 133081100

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one (CID 133081127) is 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one is O=C(c1ccoc1)n1nc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?
The InChIKey is VSHNXXBDJPFEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3S/c26-18-5-3-16(4-6-18)14-30-10-1-2-20(25(30)33)21-12-23(28-13-19-7-8-22(27)35-19)31(29-21)24(32)17-9-11-34-15-17/h1-12,15,28H,13-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one has a molecular weight of 525.42 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one is sourced from PubChem (CID 133081127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).