8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

C20H22N4O3 — CID 166238247

About 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (PubChem CID 166238247) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

• Compound Name: 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
• PubChem CID: 166238247
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
• SMILES: COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cc3ccccn3n1)C2
• InChI: InChI=1S/C20H22N4O3/c1-20(2)13-23(12-14-7-8-16(26-3)11-17(14)27-20)19(25)21-18-10-15-6-4-5-9-24(15)22-18/h4-11H,12-13H2,1-3H3,(H,21,22,25)
• InChIKey: KSODGRNYQYDORA-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?

The IUPAC name of 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (CID 166238247) is 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.

What is the SMILES notation for 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?

The canonical SMILES for 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cc3ccccn3n1)C2.

What is the InChIKey of 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?

The InChIKey is KSODGRNYQYDORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(2)13-23(12-14-7-8-16(26-3)11-17(14)27-20)19(25)21-18-10-15-6-4-5-9-24(15)22-18/h4-11H,12-13H2,1-3H3,(H,21,22,25).

What are the key properties of 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?

8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-2,2-dimethyl-N-pyrazolo[1,5-a]pyridin-2-yl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 166238247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).