N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane

C48H73ClFN5O5 — CID 177340773

About N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane

N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane (PubChem CID 177340773) has the molecular formula C48H73ClFN5O5 and a molecular weight of 854.59 g/mol. Its IUPAC name is N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane.

Molecular Properties

• Compound Name: N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane
• PubChem CID: 177340773
• Molecular Formula: C48H73ClFN5O5
• Molecular Weight: 854.59 g/mol
• Exact Mass: 853.53
• IUPAC Name: N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane
• SMILES: CC.CCC(C)C(=O)NC.CCCCC(C)CC.CCCOC.COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)C4=CCNN(C)C4=O)c3C)c2Cl)cc2c1CCC2
• InChI: InChI=1S/C28H26ClFN4O3.C8H18.C6H13NO.C4H10O.C2H6/c1-15-17(7-5-9-22(15)32-26(35)20-12-13-31-34(2)28(20)36)24-21(30)11-10-19(25(24)29)23-14-16-6-4-8-18(16)27(33-23)37-3;1-4-6-7-8(3)5-2;1-4-5(2)6(8)7-3;1-3-4-5-2;1-2/h5,7,9-12,14,31H,4,6,8,13H2,1-3H3,(H,32,35);8H,4-7H2,1-3H3;5H,4H2,1-3H3,(H,7,8);3-4H2,1-2H3;1-2H3
• InChIKey: HCRNTENAVWSNLJ-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 121.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.59
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane?

The IUPAC name of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane (CID 177340773) is N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane.

What is the SMILES notation for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane?

The canonical SMILES for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane is CC.CCC(C)C(=O)NC.CCCCC(C)CC.CCCOC.COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)C4=CCNN(C)C4=O)c3C)c2Cl)cc2c1CCC2.

What is the InChIKey of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane?

The InChIKey is HCRNTENAVWSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN4O3.C8H18.C6H13NO.C4H10O.C2H6/c1-15-17(7-5-9-22(15)32-26(35)20-12-13-31-34(2)28(20)36)24-21(30)11-10-19(25(24)29)23-14-16-6-4-8-18(16)27(33-23)37-3;1-4-6-7-8(3)5-2;1-4-5(2)6(8)7-3;1-3-4-5-2;1-2/h5,7,9-12,14,31H,4,6,8,13H2,1-3H3,(H,32,35);8H,4-7H2,1-3H3;5H,4H2,1-3H3,(H,7,8);3-4H2,1-2H3;1-2H3.

What are the key properties of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane?

N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane has a molecular weight of 854.59 g/mol, XLogP of 10.93, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;N,2-dimethylbutanamide;ethane;1-methoxypropane;3-methylheptane is sourced from PubChem (CID 177340773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).