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

C22H21ClN6O3S2 — CID 130422973

IUPAC6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one
SMILESO=C(c1ccns1)n1nc(-c2cccc(=O)n2CN2CCOCC2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C22H21ClN6O3S2/c23-19-5-4-15(33-19)13-24-20-12-16(26-29(20)22(31)18-6-7-25-34-18)17-2-1-3-21(30)28(17)14-27-8-10-32-11-9-27/h1-7,12,24H,8-11,13-14H2
InChIKeyDEALNEWXFZRURD-UHFFFAOYSA-N
MW517.04 g/mol
LogP3.47
Rot. Bonds7

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

6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one (PubChem CID 130422973) has the molecular formula C22H21ClN6O3S2 and a molecular weight of 517.04 g/mol. Its IUPAC name is 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one
PubChem CID130422973
Molecular FormulaC22H21ClN6O3S2
Molecular Weight517.04 g/mol
Exact Mass516.08
IUPAC Name6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one
SMILESO=C(c1ccns1)n1nc(-c2cccc(=O)n2CN2CCOCC2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C22H21ClN6O3S2/c23-19-5-4-15(33-19)13-24-20-12-16(26-29(20)22(31)18-6-7-25-34-18)17-2-1-3-21(30)28(17)14-27-8-10-32-11-9-27/h1-7,12,24H,8-11,13-14H2
InChIKeyDEALNEWXFZRURD-UHFFFAOYSA-N
XLogP3.47
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.04
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[4-hydroxy-6-oxo-1-(piperidin-1-ylmethyl)-2-pyridinyl]pyrazole-1-carbonyl]benzoic acid
CID 118960153
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one
CID 118960323
2-[6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-morpholin-4-yl-2-oxo-1-pyridinyl]acetaldehyde
CID 118960246
3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[4-morpholin-4-yl-6-oxo-1-(1,3-thiazol-4-ylmethyl)-2-pyridinyl]pyrazole-1-carbonyl]benzamide
CID 118959704
6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-[3-(hydroxymethyl)benzoyl]pyrazol-3-yl]-5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
CID 145048270
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one
CID 118959363
3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[2-fluoro-6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]pyrazole-1-carbonyl]benzamide
CID 118960022
[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
CID 133081358
4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
CID 118968638
6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-1-(2-oxo-2-pyrimidin-4-ylethyl)-3-pyridin-4-ylpyridin-2-one
CID 118959485
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 122508992
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-morpholin-4-ylbenzoyl)pyrazol-3-yl]-1-(thiophen-3-ylmethyl)pyridin-2-one
CID 133081302

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one (CID 130422973) is 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one is O=C(c1ccns1)n1nc(-c2cccc(=O)n2CN2CCOCC2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one?
The InChIKey is DEALNEWXFZRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O3S2/c23-19-5-4-15(33-19)13-24-20-12-16(26-29(20)22(31)18-6-7-25-34-18)17-2-1-3-21(30)28(17)14-27-8-10-32-11-9-27/h1-7,12,24H,8-11,13-14H2.
What are the key properties of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one?
6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one has a molecular weight of 517.04 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-5-carbonyl)pyrazol-3-yl]-1-(morpholin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 130422973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).