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

C33H33ClN6O6S — CID 167338089

About 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

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 (PubChem CID 167338089) has the molecular formula C33H33ClN6O6S and a molecular weight of 677.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167338089
• Molecular Formula: C33H33ClN6O6S
• Molecular Weight: 677.18 g/mol
• Exact Mass: 676.19
• IUPAC Name: 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
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc2c1C(N1CC(C(=O)NS(C)(=O)=O)C1)CC2
• InChI: InChI=1S/C33H33ClN6O6S/c1-18-21(7-6-10-25(18)36-31(42)24-13-14-35-39(2)33(24)43)22-8-5-9-23(29(22)34)26-15-19-11-12-27(28(19)32(37-26)46-3)40-16-20(17-40)30(41)38-47(4,44)45/h5-10,13-15,20,27H,11-12,16-17H2,1-4H3,(H,36,42)(H,38,41)
• InChIKey: DUTGUMGPTMLUDE-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 152.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	677.18
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc2c1C(N1CC(C(=O)NS(C)(=O)=O)C1)CC2.

What is the InChIKey of 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?

The InChIKey is DUTGUMGPTMLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN6O6S/c1-18-21(7-6-10-25(18)36-31(42)24-13-14-35-39(2)33(24)43)22-8-5-9-23(29(22)34)26-15-19-11-12-27(28(19)32(37-26)46-3)40-16-20(17-40)30(41)38-47(4,44)45/h5-10,13-15,20,27H,11-12,16-17H2,1-4H3,(H,36,42)(H,38,41).

What are the key properties of 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?

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 has a molecular weight of 677.18 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167338089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).