N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C33H32Cl2N6O7S — CID 167338627

IUPACN-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC(C(=O)NS(C)(=O)=O)C1)CC2
InChIInChI=1S/C33H32Cl2N6O7S/c1-39-16-22(32(44)40(2)33(39)45)30(43)36-23-10-6-8-20(28(23)35)19-7-5-9-21(27(19)34)24-13-17-11-12-25(26(17)31(37-24)48-3)41-14-18(15-41)29(42)38-49(4,46)47/h5-10,13,16,18,25H,11-12,14-15H2,1-4H3,(H,36,43)(H,38,42)
InChIKeyJTFCNOUOFMFNDQ-UHFFFAOYSA-N
MW727.63 g/mol
LogP3.38
Rot. Bonds8

About N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167338627) has the molecular formula C33H32Cl2N6O7S and a molecular weight of 727.63 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID167338627
Molecular FormulaC33H32Cl2N6O7S
Molecular Weight727.63 g/mol
Exact Mass726.14
IUPAC NameN-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC(C(=O)NS(C)(=O)=O)C1)CC2
InChIInChI=1S/C33H32Cl2N6O7S/c1-39-16-22(32(44)40(2)33(39)45)30(43)36-23-10-6-8-20(28(23)35)19-7-5-9-21(27(19)34)24-13-17-11-12-25(26(17)31(37-24)48-3)41-14-18(15-41)29(42)38-49(4,46)47/h5-10,13,16,18,25H,11-12,14-15H2,1-4H3,(H,36,43)(H,38,42)
InChIKeyJTFCNOUOFMFNDQ-UHFFFAOYSA-N
XLogP3.38
TPSA161.70 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337928
N-[3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 167338089
ethyl 1-[(7S)-3-[2-chloro-3-[2-chloro-3-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]phenyl]-4-fluorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidine-3-carboxylate
CID 167338484
N-[3-[3-[7-[(2-amino-2-oxoethyl)amino]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 171736691
N-[2-chloro-3-[3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338446
N-[3-[2-chloro-3-[(7S)-1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338665
N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338249
N-[2-chloro-3-[3-[1-methoxy-7-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167338112
N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 177340341
N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337989
N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 167337974
N-[3-[3-[7-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-2-chlorophenyl]-2-chlorophenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 167338014

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 167338627) is N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC(C(=O)NS(C)(=O)=O)C1)CC2.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is JTFCNOUOFMFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Cl2N6O7S/c1-39-16-22(32(44)40(2)33(39)45)30(43)36-23-10-6-8-20(28(23)35)19-7-5-9-21(27(19)34)24-13-17-11-12-25(26(17)31(37-24)48-3)41-14-18(15-41)29(42)38-49(4,46)47/h5-10,13,16,18,25H,11-12,14-15H2,1-4H3,(H,36,43)(H,38,42).
What are the key properties of N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 727.63 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[1-methoxy-7-[3-(methylsulfonylcarbamoyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167338627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).