3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid

C38H30Cl2N6O7S2 — CID 158719271

IUPAC3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1.O=C(c1ccoc1)n1nc(-c2ccc[nH]c2=O)cc1CCc1ccc(Cl)s1.O=c1[nH]cccc1-c1cc(CCc2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C19H14ClN3O3S.C14H12ClN3OS.C5H4O3/c20-17-6-5-14(27-17)4-3-13-10-16(15-2-1-8-21-18(15)24)22-23(13)19(25)12-7-9-26-11-12;15-13-6-5-10(20-13)4-3-9-8-12(18-17-9)11-2-1-7-16-14(11)19;6-5(7)4-1-2-8-3-4/h1-2,5-11H,3-4H2,(H,21,24);1-2,5-8H,3-4H2,(H,16,19)(H,17,18);1-3H,(H,6,7)
InChIKeyIJRZJHDUWAFGFM-UHFFFAOYSA-N
MW817.73 g/mol
LogP8.26
Rot. Bonds10

About 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid

3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid (PubChem CID 158719271) has the molecular formula C38H30Cl2N6O7S2 and a molecular weight of 817.73 g/mol. Its IUPAC name is 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid.

Molecular Properties

Compound Name3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid
PubChem CID158719271
Molecular FormulaC38H30Cl2N6O7S2
Molecular Weight817.73 g/mol
Exact Mass816.10
IUPAC Name3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1.O=C(c1ccoc1)n1nc(-c2ccc[nH]c2=O)cc1CCc1ccc(Cl)s1.O=c1[nH]cccc1-c1cc(CCc2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C19H14ClN3O3S.C14H12ClN3OS.C5H4O3/c20-17-6-5-14(27-17)4-3-13-10-16(15-2-1-8-21-18(15)24)22-23(13)19(25)12-7-9-26-11-12;15-13-6-5-10(20-13)4-3-9-8-12(18-17-9)11-2-1-7-16-14(11)19;6-5(7)4-1-2-8-3-4/h1-2,5-11H,3-4H2,(H,21,24);1-2,5-8H,3-4H2,(H,16,19)(H,17,18);1-3H,(H,6,7)
InChIKeyIJRZJHDUWAFGFM-UHFFFAOYSA-N
XLogP8.26
TPSA192.87 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.73
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid with MolForge

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Related Compounds

4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 158681118
tert-butyl 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]piperidine-1-carboxylate;1-(furan-3-yl)ethenol
CID 161162936
3-[1-(4-tert-butylbenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1H-pyridin-2-one
CID 137308196
1-bromopropane;4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-propylpyridin-2-one;4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one
CID 158077470
1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
CID 133081140
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
CID 137308189
4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-6-morpholin-4-yl-1H-pyridin-2-one;4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-6-morpholin-4-yl-1H-pyridin-2-one;2,2-dimethylpropanoic acid
CID 159744781
[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
CID 133081358
[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxan-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
CID 157050478
3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one
CID 137148423
[3-(azetidin-3-yl)-5-[2-(5-chlorothiophen-2-yl)ethyl]pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 161445353
3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(furan-3-ylmethyl)pyridin-2-one
CID 135334080

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid?
The IUPAC name of 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid (CID 158719271) is 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid.
What is the SMILES notation for 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid?
The canonical SMILES for 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid is O=C(O)c1ccoc1.O=C(c1ccoc1)n1nc(-c2ccc[nH]c2=O)cc1CCc1ccc(Cl)s1.O=c1[nH]cccc1-c1cc(CCc2ccc(Cl)s2)[nH]n1.
What is the InChIKey of 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid?
The InChIKey is IJRZJHDUWAFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S.C14H12ClN3OS.C5H4O3/c20-17-6-5-14(27-17)4-3-13-10-16(15-2-1-8-21-18(15)24)22-23(13)19(25)12-7-9-26-11-12;15-13-6-5-10(20-13)4-3-9-8-12(18-17-9)11-2-1-7-16-14(11)19;6-5(7)4-1-2-8-3-4/h1-2,5-11H,3-4H2,(H,21,24);1-2,5-8H,3-4H2,(H,16,19)(H,17,18);1-3H,(H,6,7).
What are the key properties of 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid?
3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid has a molecular weight of 817.73 g/mol, XLogP of 8.26, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1H-pyridin-2-one;3-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazol-3-yl]-1H-pyridin-2-one;furan-3-carboxylic acid is sourced from PubChem (CID 158719271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).