2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C26H27N7O3 — CID 123419555

About 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 123419555) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 123419555
• Molecular Formula: C26H27N7O3
• Molecular Weight: 485.55 g/mol
• Exact Mass: 485.22
• IUPAC Name: 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1cc(-c2nc(C(c3ccc(-c4cnc5c(c4)OCCN5)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C26H27N7O3/c1-32(2)22(34)15-33-14-20(13-29-33)26-30-25(31-36-26)23(18-7-8-18)17-5-3-16(4-6-17)19-11-21-24(28-12-19)27-9-10-35-21/h3-6,11-14,18,23H,7-10,15H2,1-2H3,(H,27,28)
• InChIKey: QCIIKEIIEUCRQM-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 111.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.55
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 123419555) is 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2nc(C(c3ccc(-c4cnc5c(c4)OCCN5)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is QCIIKEIIEUCRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-32(2)22(34)15-33-14-20(13-29-33)26-30-25(31-36-26)23(18-7-8-18)17-5-3-16(4-6-17)19-11-21-24(28-12-19)27-9-10-35-21/h3-6,11-14,18,23H,7-10,15H2,1-2H3,(H,27,28).

What are the key properties of 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 485.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[cyclopropyl-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 123419555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).