N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C20H20F2N4O4 — CID 167414003

About N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 167414003) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 167414003
• Molecular Formula: C20H20F2N4O4
• Molecular Weight: 418.40 g/mol
• Exact Mass: 418.15
• IUPAC Name: N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: N#Cc1ccc2c(c1)CC(NC(=O)c1cc3n(n1)CCC(CCOC(F)F)O3)CO2
• InChI: InChI=1S/C20H20F2N4O4/c21-20(22)28-6-4-15-3-5-26-18(30-15)9-16(25-26)19(27)24-14-8-13-7-12(10-23)1-2-17(13)29-11-14/h1-2,7,9,14-15,20H,3-6,8,11H2,(H,24,27)
• InChIKey: HZJQVKRNWGBVEY-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 98.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.40
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 167414003) is N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is N#Cc1ccc2c(c1)CC(NC(=O)c1cc3n(n1)CCC(CCOC(F)F)O3)CO2.

What is the InChIKey of N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is HZJQVKRNWGBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c21-20(22)28-6-4-15-3-5-26-18(30-15)9-16(25-26)19(27)24-14-8-13-7-12(10-23)1-2-17(13)29-11-14/h1-2,7,9,14-15,20H,3-6,8,11H2,(H,24,27).

What are the key properties of N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 167414003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).