9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide

C24H31FN6O7S — CID 11757666

IUPAC9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)C1CCCN2C(=O)C(=O)C(C(=O)NCc3ccc(F)cc3)N=C12
InChIInChI=1S/C24H31FN6O7S/c1-28(2)39(36,37)31(15-19(32)29-10-12-38-13-11-29)18-4-3-9-30-22(18)27-20(21(33)24(30)35)23(34)26-14-16-5-7-17(25)8-6-16/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,26,34)
InChIKeyBNVXSLRZRLODSC-UHFFFAOYSA-N
MW566.61 g/mol
LogP-1.25
Rot. Bonds8

About 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide

9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 11757666) has the molecular formula C24H31FN6O7S and a molecular weight of 566.61 g/mol. Its IUPAC name is 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID11757666
Molecular FormulaC24H31FN6O7S
Molecular Weight566.61 g/mol
Exact Mass566.20
IUPAC Name9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)C1CCCN2C(=O)C(=O)C(C(=O)NCc3ccc(F)cc3)N=C12
InChIInChI=1S/C24H31FN6O7S/c1-28(2)39(36,37)31(15-19(32)29-10-12-38-13-11-29)18-4-3-9-30-22(18)27-20(21(33)24(30)35)23(34)26-14-16-5-7-17(25)8-6-16/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,26,34)
InChIKeyBNVXSLRZRLODSC-UHFFFAOYSA-N
XLogP-1.25
TPSA149.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.61
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

9-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 10027528
N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-3,4-dioxo-2,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide
CID 10001950
N-[(4-fluorophenyl)methyl]-9-[methyl([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 10368383
(9R)-N-[(4-fluorophenyl)methyl]-3,4-dioxo-9-[[(1S)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 11756842
8-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 10247941
2-tert-butyl-N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxamide
CID 16661478
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959823
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
[1-[[2-(dimethylamino)-2-oxoacetyl]amino]-4-[(4-fluorophenyl)methylcarbamoyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-9-yl]methyl acetate
CID 57389855
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide
CID 142913895
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503

Frequently Asked Questions

What is the IUPAC name of 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 11757666) is 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide is CN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)C1CCCN2C(=O)C(=O)C(C(=O)NCc3ccc(F)cc3)N=C12.
What is the InChIKey of 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BNVXSLRZRLODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O7S/c1-28(2)39(36,37)31(15-19(32)29-10-12-38-13-11-29)18-4-3-9-30-22(18)27-20(21(33)24(30)35)23(34)26-14-16-5-7-17(25)8-6-16/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,26,34).
What are the key properties of 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide?
9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 566.61 g/mol, XLogP of -1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[dimethylsulfamoyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(4-fluorophenyl)methyl]-3,4-dioxo-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 11757666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).