N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol

C52H80ClN5O5 — CID 177340612

About N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol (PubChem CID 177340612) has the molecular formula C52H80ClN5O5 and a molecular weight of 890.69 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol
• PubChem CID: 177340612
• Molecular Formula: C52H80ClN5O5
• Molecular Weight: 890.69 g/mol
• Exact Mass: 889.58
• IUPAC Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol
• SMILES: CC.CCC(C)CCC(CC)(CC)NC(=O)C(C)CC.CCCO.CCCc1c(NC(=O)C2=CCNN(C)C2=O)cccc1-c1cccc(-c2cc3c(c(OC)n2)C(C)CC3)c1Cl
• InChI: InChI=1S/C31H33ClN4O3.C16H33NO.C3H8O.C2H6/c1-5-8-21-20(9-7-12-25(21)34-29(37)24-15-16-33-36(3)31(24)38)22-10-6-11-23(28(22)32)26-17-19-14-13-18(2)27(19)30(35-26)39-4;1-7-13(5)11-12-16(9-3,10-4)17-15(18)14(6)8-2;1-2-3-4;1-2/h6-7,9-12,15,17-18,33H,5,8,13-14,16H2,1-4H3,(H,34,37);13-14H,7-12H2,1-6H3,(H,17,18);4H,2-3H2,1H3;1-2H3
• InChIKey: JATZHXLNLZDKCU-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 132.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.69
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	4
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-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol?

The IUPAC name of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol (CID 177340612) is N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol.

What is the SMILES notation for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol?

The canonical SMILES for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol is CC.CCC(C)CCC(CC)(CC)NC(=O)C(C)CC.CCCO.CCCc1c(NC(=O)C2=CCNN(C)C2=O)cccc1-c1cccc(-c2cc3c(c(OC)n2)C(C)CC3)c1Cl.

What is the InChIKey of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol?

The InChIKey is JATZHXLNLZDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN4O3.C16H33NO.C3H8O.C2H6/c1-5-8-21-20(9-7-12-25(21)34-29(37)24-15-16-33-36(3)31(24)38)22-10-6-11-23(28(22)32)26-17-19-14-13-18(2)27(19)30(35-26)39-4;1-7-13(5)11-12-16(9-3,10-4)17-15(18)14(6)8-2;1-2-3-4;1-2/h6-7,9-12,15,17-18,33H,5,8,13-14,16H2,1-4H3,(H,34,37);13-14H,7-12H2,1-6H3,(H,17,18);4H,2-3H2,1H3;1-2H3.

What are the key properties of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol?

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol has a molecular weight of 890.69 g/mol, XLogP of 11.87, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-2-methyl-3-oxo-1,6-dihydropyridazine-4-carboxamide;ethane;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide;propan-1-ol is sourced from PubChem (CID 177340612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).