6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide

C24H27ClN6O5 — CID 177250814

About 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide

6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 177250814) has the molecular formula C24H27ClN6O5 and a molecular weight of 514.97 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 177250814
• Molecular Formula: C24H27ClN6O5
• Molecular Weight: 514.97 g/mol
• Exact Mass: 514.17
• IUPAC Name: 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1cc2c(cc1-n1nc(C(=O)NCCN3CC(=O)OC(C)(C)C3)c3cnc(Cl)cc31)OCCN2
• InChI: InChI=1S/C24H27ClN6O5/c1-24(2)13-30(12-21(32)36-24)6-4-27-23(33)22-14-11-28-20(25)10-16(14)31(29-22)17-9-18-15(8-19(17)34-3)26-5-7-35-18/h8-11,26H,4-7,12-13H2,1-3H3,(H,27,33)
• InChIKey: BIDUBCORAVWENR-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.97
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide (CID 177250814) is 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cc2c(cc1-n1nc(C(=O)NCCN3CC(=O)OC(C)(C)C3)c3cnc(Cl)cc31)OCCN2.

What is the InChIKey of 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is BIDUBCORAVWENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O5/c1-24(2)13-30(12-21(32)36-24)6-4-27-23(33)22-14-11-28-20(25)10-16(14)31(29-22)17-9-18-15(8-19(17)34-3)26-5-7-35-18/h8-11,26H,4-7,12-13H2,1-3H3,(H,27,33).

What are the key properties of 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide?

6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 514.97 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-(2,2-dimethyl-6-oxomorpholin-4-yl)ethyl]-1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177250814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).