N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide

C32H33ClN6O4 — CID 168812498

About N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide

N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 168812498) has the molecular formula C32H33ClN6O4 and a molecular weight of 601.11 g/mol. Its IUPAC name is N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• PubChem CID: 168812498
• Molecular Formula: C32H33ClN6O4
• Molecular Weight: 601.11 g/mol
• Exact Mass: 600.23
• IUPAC Name: N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C32H33ClN6O4/c1-18-15-27(38-31(43-4)25(18)17-34-16-20-11-12-28(40)36-20)23-9-5-8-22(29(23)33)21-7-6-10-26(19(21)2)37-30(41)24-13-14-35-39(3)32(24)42/h5-10,13-15,20,34H,11-12,16-17H2,1-4H3,(H,36,40)(H,37,41)/t20-/m0/s1
• InChIKey: WONYPJZMQRWVFN-FQEVSTJZSA-N
• XLogP: 4.41
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.11
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 168812498) is N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3C)c2Cl)cc(C)c1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The InChIKey is WONYPJZMQRWVFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C32H33ClN6O4/c1-18-15-27(38-31(43-4)25(18)17-34-16-20-11-12-28(40)36-20)23-9-5-8-22(29(23)33)21-7-6-10-26(19(21)2)37-30(41)24-13-14-35-39(3)32(24)42/h5-10,13-15,20,34H,11-12,16-17H2,1-4H3,(H,36,40)(H,37,41)/t20-/m0/s1.

What are the key properties of N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 601.11 g/mol, XLogP of 4.41, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 168812498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).