6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one

C26H29ClN6O3S2 — CID 145048381

IUPAC6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one
SMILESCN(C)c1cc(-c2cc(N(C)Cc3ccc(Cl)s3)n(C(=O)C(C)(C)C)n2)n(CC(=O)c2nccs2)c(=O)c1
InChIInChI=1S/C26H29ClN6O3S2/c1-26(2,3)25(36)33-22(31(6)14-17-7-8-21(27)38-17)13-18(29-33)19-11-16(30(4)5)12-23(35)32(19)15-20(34)24-28-9-10-37-24/h7-13H,14-15H2,1-6H3
InChIKeyRSXZSMULBBXPGQ-UHFFFAOYSA-N
MW573.14 g/mol
LogP5.15
Rot. Bonds8

About 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one

6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one (PubChem CID 145048381) has the molecular formula C26H29ClN6O3S2 and a molecular weight of 573.14 g/mol. Its IUPAC name is 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one
PubChem CID145048381
Molecular FormulaC26H29ClN6O3S2
Molecular Weight573.14 g/mol
Exact Mass572.14
IUPAC Name6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one
SMILESCN(C)c1cc(-c2cc(N(C)Cc3ccc(Cl)s3)n(C(=O)C(C)(C)C)n2)n(CC(=O)c2nccs2)c(=O)c1
InChIInChI=1S/C26H29ClN6O3S2/c1-26(2,3)25(36)33-22(31(6)14-17-7-8-21(27)38-17)13-18(29-33)19-11-16(30(4)5)12-23(35)32(19)15-20(34)24-28-9-10-37-24/h7-13H,14-15H2,1-6H3
InChIKeyRSXZSMULBBXPGQ-UHFFFAOYSA-N
XLogP5.15
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500573.14
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one (CID 145048381) is 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one is CN(C)c1cc(-c2cc(N(C)Cc3ccc(Cl)s3)n(C(=O)C(C)(C)C)n2)n(CC(=O)c2nccs2)c(=O)c1.
What is the InChIKey of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one?
The InChIKey is RSXZSMULBBXPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O3S2/c1-26(2,3)25(36)33-22(31(6)14-17-7-8-21(27)38-17)13-18(29-33)19-11-16(30(4)5)12-23(35)32(19)15-20(34)24-28-9-10-37-24/h7-13H,14-15H2,1-6H3.
What are the key properties of 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one?
6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one has a molecular weight of 573.14 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-4-(dimethylamino)-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 145048381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).