N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

C33H29Cl2FN6O4 — CID 167338348

About N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 167338348) has the molecular formula C33H29Cl2FN6O4 and a molecular weight of 663.54 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• PubChem CID: 167338348
• Molecular Formula: C33H29Cl2FN6O4
• Molecular Weight: 663.54 g/mol
• Exact Mass: 662.16
• IUPAC Name: N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• SMILES: COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC3(CCC(=O)N3)C1)CC2
• InChI: InChI=1S/C33H29Cl2FN6O4/c1-41-32(45)20(11-13-37-41)30(44)38-22-5-3-4-19(28(22)34)27-21(36)8-7-18(29(27)35)23-14-17-6-9-24(26(17)31(39-23)46-2)42-15-33(16-42)12-10-25(43)40-33/h3-5,7-8,11,13-14,24H,6,9-10,12,15-16H2,1-2H3,(H,38,44)(H,40,43)
• InChIKey: OJLAXABAEFKSLQ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.54
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 167338348) is N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1C(N1CC3(CCC(=O)N3)C1)CC2.

What is the InChIKey of N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The InChIKey is OJLAXABAEFKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2FN6O4/c1-41-32(45)20(11-13-37-41)30(44)38-22-5-3-4-19(28(22)34)27-21(36)8-7-18(29(27)35)23-14-17-6-9-24(26(17)31(39-23)46-2)42-15-33(16-42)12-10-25(43)40-33/h3-5,7-8,11,13-14,24H,6,9-10,12,15-16H2,1-2H3,(H,38,44)(H,40,43).

What are the key properties of N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 663.54 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-6-fluoro-3-[1-methoxy-7-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167338348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).