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

C28H28N6O3 — CID 135220743

IUPAC3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(-c2c(-c3c(-c4ccccc4)nn4c3OCCC4)nn3c2OCC=C3)ccn1
InChIInChI=1S/C28H28N6O3/c1-18(2)16-22(35)30-21-17-20(10-11-29-21)23-26(32-33-12-6-14-36-27(23)33)24-25(19-8-4-3-5-9-19)31-34-13-7-15-37-28(24)34/h3-6,8-12,17-18H,7,13-16H2,1-2H3,(H,29,30,35)
InChIKeyVJSOHCUYLLLNBN-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.11
Rot. Bonds6

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

3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide (PubChem CID 135220743) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide
PubChem CID135220743
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(-c2c(-c3c(-c4ccccc4)nn4c3OCCC4)nn3c2OCC=C3)ccn1
InChIInChI=1S/C28H28N6O3/c1-18(2)16-22(35)30-21-17-20(10-11-29-21)23-26(32-33-12-6-14-36-27(23)33)24-25(19-8-4-3-5-9-19)31-34-13-7-15-37-28(24)34/h3-6,8-12,17-18H,7,13-16H2,1-2H3,(H,29,30,35)
InChIKeyVJSOHCUYLLLNBN-UHFFFAOYSA-N
XLogP5.11
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide (CID 135220743) is 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide is CC(C)CC(=O)Nc1cc(-c2c(-c3c(-c4ccccc4)nn4c3OCCC4)nn3c2OCC=C3)ccn1.
What is the InChIKey of 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide?
The InChIKey is VJSOHCUYLLLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-18(2)16-22(35)30-21-17-20(10-11-29-21)23-26(32-33-12-6-14-36-27(23)33)24-25(19-8-4-3-5-9-19)31-34-13-7-15-37-28(24)34/h3-6,8-12,17-18H,7,13-16H2,1-2H3,(H,29,30,35).
What are the key properties of 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide?
3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide has a molecular weight of 496.57 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-(2-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 135220743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).