4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one

C57H56Cl2N10O9S2 — CID 130423192

IUPAC4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2cc(N3CCOCC3)n(CC(=O)c3ccco3)c(=O)c2)cc1NCc1ccc(Cl)s1.CC(C)(C)C(=O)n1nc(-c2ccn(CC(=O)c3ccco3)c(=O)c2-c2ccccn2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C29H26ClN5O4S.C28H30ClN5O5S/c1-29(2,3)28(38)35-25(32-16-18-9-10-24(30)40-18)15-21(33-35)19-11-13-34(17-22(36)23-8-6-14-39-23)27(37)26(19)20-7-4-5-12-31-20;1-28(2,3)27(37)34-24(30-16-19-6-7-23(29)40-19)15-20(31-34)18-13-25(32-8-11-38-12-9-32)33(26(36)14-18)17-21(35)22-5-4-10-39-22/h4-15,32H,16-17H2,1-3H3;4-7,10,13-15,30H,8-9,11-12,16-17H2,1-3H3
InChIKeyVJTOVKONKSUIAR-UHFFFAOYSA-N
MW1160.18 g/mol
LogP11.30
Rot. Bonds16

About 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one

4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one (PubChem CID 130423192) has the molecular formula C57H56Cl2N10O9S2 and a molecular weight of 1160.18 g/mol. Its IUPAC name is 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one
PubChem CID130423192
Molecular FormulaC57H56Cl2N10O9S2
Molecular Weight1160.18 g/mol
Exact Mass1158.31
IUPAC Name4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2cc(N3CCOCC3)n(CC(=O)c3ccco3)c(=O)c2)cc1NCc1ccc(Cl)s1.CC(C)(C)C(=O)n1nc(-c2ccn(CC(=O)c3ccco3)c(=O)c2-c2ccccn2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C29H26ClN5O4S.C28H30ClN5O5S/c1-29(2,3)28(38)35-25(32-16-18-9-10-24(30)40-18)15-21(33-35)19-11-13-34(17-22(36)23-8-6-14-39-23)27(37)26(19)20-7-4-5-12-31-20;1-28(2,3)27(37)34-24(30-16-19-6-7-23(29)40-19)15-20(31-34)18-13-25(32-8-11-38-12-9-32)33(26(36)14-18)17-21(35)22-5-4-10-39-22/h4-15,32H,16-17H2,1-3H3;4-7,10,13-15,30H,8-9,11-12,16-17H2,1-3H3
InChIKeyVJTOVKONKSUIAR-UHFFFAOYSA-N
XLogP11.30
TPSA223.62 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.18
LogP ≤ 511.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one?
The IUPAC name of 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one (CID 130423192) is 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one is CC(C)(C)C(=O)n1nc(-c2cc(N3CCOCC3)n(CC(=O)c3ccco3)c(=O)c2)cc1NCc1ccc(Cl)s1.CC(C)(C)C(=O)n1nc(-c2ccn(CC(=O)c3ccco3)c(=O)c2-c2ccccn2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one?
The InChIKey is VJTOVKONKSUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O4S.C28H30ClN5O5S/c1-29(2,3)28(38)35-25(32-16-18-9-10-24(30)40-18)15-21(33-35)19-11-13-34(17-22(36)23-8-6-14-39-23)27(37)26(19)20-7-4-5-12-31-20;1-28(2,3)27(37)34-24(30-16-19-6-7-23(29)40-19)15-20(31-34)18-13-25(32-8-11-38-12-9-32)33(26(36)14-18)17-21(35)22-5-4-10-39-22/h4-15,32H,16-17H2,1-3H3;4-7,10,13-15,30H,8-9,11-12,16-17H2,1-3H3.
What are the key properties of 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one?
4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one has a molecular weight of 1160.18 g/mol, XLogP of 11.30, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-6-morpholin-4-ylpyridin-2-one;4-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-3-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 130423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).