N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide

C33H32Cl2N6O4 — CID 167338500

About N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide

N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 167338500) has the molecular formula C33H32Cl2N6O4 and a molecular weight of 647.56 g/mol. Its IUPAC name is N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• PubChem CID: 167338500
• Molecular Formula: C33H32Cl2N6O4
• Molecular Weight: 647.56 g/mol
• Exact Mass: 646.19
• IUPAC Name: N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• SMILES: COc1nc(-c2cccc(-c3ccc(Cl)c(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)CC2
• InChI: InChI=1S/C33H32Cl2N6O4/c1-17-20(9-10-24(34)30(17)40-31(43)23-13-14-37-41(2)33(23)44)21-5-4-6-22(29(21)35)26-15-18-7-11-25(28(18)32(39-26)45-3)36-16-19-8-12-27(42)38-19/h4-6,9-10,13-15,19,25,36H,7-8,11-12,16H2,1-3H3,(H,38,42)(H,40,43)/t19-,25-/m0/s1
• InChIKey: QJPDQIUJJDDSFI-DFBJGRDBSA-N
• XLogP: 5.24
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 167338500) is N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-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-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide is COc1nc(-c2cccc(-c3ccc(Cl)c(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)CC2.

What is the InChIKey of N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The InChIKey is QJPDQIUJJDDSFI-DFBJGRDBSA-N. The full InChI is InChI=1S/C33H32Cl2N6O4/c1-17-20(9-10-24(34)30(17)40-31(43)23-13-14-37-41(2)33(23)44)21-5-4-6-22(29(21)35)26-15-18-7-11-25(28(18)32(39-26)45-3)36-16-19-8-12-27(42)38-19/h4-6,9-10,13-15,19,25,36H,7-8,11-12,16H2,1-3H3,(H,38,42)(H,40,43)/t19-,25-/m0/s1.

What are the key properties of N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 647.56 g/mol, XLogP of 5.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).