5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one

C23H17ClN6O3S2 — CID 118959321

IUPAC5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
SMILESC=Cc1c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3nccs3)n2)ccc(=O)n1Cc1cnoc1
InChIInChI=1S/C23H17ClN6O3S2/c1-2-18-16(4-6-21(31)29(18)12-14-10-27-33-13-14)17-9-20(26-11-15-3-5-19(24)35-15)30(28-17)23(32)22-25-7-8-34-22/h2-10,13,26H,1,11-12H2
InChIKeyKGYCEXVXVXSNHZ-UHFFFAOYSA-N
MW525.02 g/mol
LogP4.86
Rot. Bonds8

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one (PubChem CID 118959321) has the molecular formula C23H17ClN6O3S2 and a molecular weight of 525.02 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
PubChem CID118959321
Molecular FormulaC23H17ClN6O3S2
Molecular Weight525.02 g/mol
Exact Mass524.05
IUPAC Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one
SMILESC=Cc1c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3nccs3)n2)ccc(=O)n1Cc1cnoc1
InChIInChI=1S/C23H17ClN6O3S2/c1-2-18-16(4-6-21(31)29(18)12-14-10-27-33-13-14)17-9-20(26-11-15-3-5-19(24)35-15)30(28-17)23(32)22-25-7-8-34-22/h2-10,13,26H,1,11-12H2
InChIKeyKGYCEXVXVXSNHZ-UHFFFAOYSA-N
XLogP4.86
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.02
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one (CID 118959321) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one is C=Cc1c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3nccs3)n2)ccc(=O)n1Cc1cnoc1.
What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
The InChIKey is KGYCEXVXVXSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S2/c1-2-18-16(4-6-21(31)29(18)12-14-10-27-33-13-14)17-9-20(26-11-15-3-5-19(24)35-15)30(28-17)23(32)22-25-7-8-34-22/h2-10,13,26H,1,11-12H2.
What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one?
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one has a molecular weight of 525.02 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,3-thiazole-2-carbonyl)pyrazol-3-yl]-6-ethenyl-1-(1,2-oxazol-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 118959321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).