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

C25H19ClN4O3S — CID 158681118

IUPAC4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccoc1)n1nc(-c2ccn(Cc3cccnc3)c(=O)c2)cc1CCc1ccc(Cl)s1
InChIInChI=1S/C25H19ClN4O3S/c26-23-6-5-21(34-23)4-3-20-13-22(28-30(20)25(32)19-8-11-33-16-19)18-7-10-29(24(31)12-18)15-17-2-1-9-27-14-17/h1-2,5-14,16H,3-4,15H2
InChIKeyARRWABGOBUGGNF-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.94
Rot. Bonds7

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

4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 158681118) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID158681118
Molecular FormulaC25H19ClN4O3S
Molecular Weight490.97 g/mol
Exact Mass490.09
IUPAC Name4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccoc1)n1nc(-c2ccn(Cc3cccnc3)c(=O)c2)cc1CCc1ccc(Cl)s1
InChIInChI=1S/C25H19ClN4O3S/c26-23-6-5-21(34-23)4-3-20-13-22(28-30(20)25(32)19-8-11-33-16-19)18-7-10-29(24(31)12-18)15-17-2-1-9-27-14-17/h1-2,5-14,16H,3-4,15H2
InChIKeyARRWABGOBUGGNF-UHFFFAOYSA-N
XLogP4.94
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 158681118) is 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is O=C(c1ccoc1)n1nc(-c2ccn(Cc3cccnc3)c(=O)c2)cc1CCc1ccc(Cl)s1.
What is the InChIKey of 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is ARRWABGOBUGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c26-23-6-5-21(34-23)4-3-20-13-22(28-30(20)25(32)19-8-11-33-16-19)18-7-10-29(24(31)12-18)15-17-2-1-9-27-14-17/h1-2,5-14,16H,3-4,15H2.
What are the key properties of 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 490.97 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-chlorothiophen-2-yl)ethyl]-1-(furan-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 158681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).