2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one

C37H38Cl2N8O4 — CID 166515734

About 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one

2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166515734) has the molecular formula C37H38Cl2N8O4 and a molecular weight of 729.67 g/mol. Its IUPAC name is 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 166515734
• Molecular Formula: C37H38Cl2N8O4
• Molecular Weight: 729.67 g/mol
• Exact Mass: 728.24
• IUPAC Name: 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5nc(CNC[C@@H]6CCC(=O)N6)cc(=O)n5n4C)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C37H38Cl2N8O4/c1-46-30(16-31-42-24(15-34(50)47(31)46)20-41-19-23-11-14-33(49)44-23)28-8-4-6-26(36(28)39)25-5-3-7-27(35(25)38)29-12-9-21(37(45-29)51-2)17-40-18-22-10-13-32(48)43-22/h3-9,12,15-16,22-23,40-41H,10-11,13-14,17-20H2,1-2H3,(H,43,48)(H,44,49)/t22-,23-/m0/s1
• InChIKey: PZNOEPMXSJITOB-GOTSBHOMSA-N
• XLogP: 4.48
• TPSA: 143.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	729.67
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one (CID 166515734) is 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one is COc1nc(-c2cccc(-c3cccc(-c4cc5nc(CNC[C@@H]6CCC(=O)N6)cc(=O)n5n4C)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is PZNOEPMXSJITOB-GOTSBHOMSA-N. The full InChI is InChI=1S/C37H38Cl2N8O4/c1-46-30(16-31-42-24(15-34(50)47(31)46)20-41-19-23-11-14-33(49)44-23)28-8-4-6-26(36(28)39)25-5-3-7-27(35(25)38)29-12-9-21(37(45-29)51-2)17-40-18-22-10-13-32(48)43-22/h3-9,12,15-16,22-23,40-41H,10-11,13-14,17-20H2,1-2H3,(H,43,48)(H,44,49)/t22-,23-/m0/s1.

What are the key properties of 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one?

2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 729.67 g/mol, XLogP of 4.48, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-1-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166515734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).