N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide

C21H20F2N4O2 — CID 135220702

IUPACN-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3F)nn3c2OCCC3)ccn1
InChIInChI=1S/C21H20F2N4O2/c1-12(2)20(28)25-17-10-13(6-7-24-17)18-19(15-5-4-14(22)11-16(15)23)26-27-8-3-9-29-21(18)27/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28)
InChIKeyDGPWSCXUUIIPMM-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.27
Rot. Bonds4

About N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide

N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 135220702) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide
PubChem CID135220702
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3F)nn3c2OCCC3)ccn1
InChIInChI=1S/C21H20F2N4O2/c1-12(2)20(28)25-17-10-13(6-7-24-17)18-19(15-5-4-14(22)11-16(15)23)26-27-8-3-9-29-21(18)27/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28)
InChIKeyDGPWSCXUUIIPMM-UHFFFAOYSA-N
XLogP4.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide (CID 135220702) is N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3F)nn3c2OCCC3)ccn1.
What is the InChIKey of N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is DGPWSCXUUIIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-12(2)20(28)25-17-10-13(6-7-24-17)18-19(15-5-4-14(22)11-16(15)23)26-27-8-3-9-29-21(18)27/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28).
What are the key properties of N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide?
N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 398.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 135220702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).