2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide

C34H42Cl2N6O4 — CID 71082097

About 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide

2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide (PubChem CID 71082097) has the molecular formula C34H42Cl2N6O4 and a molecular weight of 669.65 g/mol. Its IUPAC name is 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
• PubChem CID: 71082097
• Molecular Formula: C34H42Cl2N6O4
• Molecular Weight: 669.65 g/mol
• Exact Mass: 668.26
• IUPAC Name: 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
• SMILES: C[C@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(-c3ccc(Cl)c(CNC[C@@H]4CCCO4)c3)c2)c2c1CCN(C(=O)C(N)=O)C2
• InChI: InChI=1S/C34H42Cl2N6O4/c1-22-21-45-15-13-40(22)10-3-11-42-31-9-12-41(34(44)33(37)43)20-28(31)32(39-42)24-6-8-30(36)27(17-24)23-5-7-29(35)25(16-23)18-38-19-26-4-2-14-46-26/h5-8,16-17,22,26,38H,2-4,9-15,18-21H2,1H3,(H2,37,43)/t22-,26-/m0/s1
• InChIKey: USDQFULLNRSNTE-NVQXNPDNSA-N
• XLogP: 4.27
• TPSA: 114.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.65
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide?

The IUPAC name of 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide (CID 71082097) is 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide.

What is the SMILES notation for 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide?

The canonical SMILES for 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide is C[C@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(-c3ccc(Cl)c(CNC[C@@H]4CCCO4)c3)c2)c2c1CCN(C(=O)C(N)=O)C2.

What is the InChIKey of 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide?

The InChIKey is USDQFULLNRSNTE-NVQXNPDNSA-N. The full InChI is InChI=1S/C34H42Cl2N6O4/c1-22-21-45-15-13-40(22)10-3-11-42-31-9-12-41(34(44)33(37)43)20-28(31)32(39-42)24-6-8-30(36)27(17-24)23-5-7-29(35)25(16-23)18-38-19-26-4-2-14-46-26/h5-8,16-17,22,26,38H,2-4,9-15,18-21H2,1H3,(H2,37,43)/t22-,26-/m0/s1.

What are the key properties of 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide?

2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide has a molecular weight of 669.65 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-chloro-3-[4-chloro-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide is sourced from PubChem (CID 71082097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).