1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

C19H28N6O4S — CID 146318103

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILES[H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(OC)nc1C(C)C)c1cnn2c1OCCC2
InChIInChI=1S/C19H28N6O4S/c1-11(2)13-9-15(28-5)22-16(12(3)4)17(13)23-19(26)24-30(20,27)14-10-21-25-7-6-8-29-18(14)25/h9-12H,6-8H2,1-5H3,(H3,20,23,24,26,27)
InChIKeyMYBNSBWWEBZUQV-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.46
Rot. Bonds6

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (PubChem CID 146318103) has the molecular formula C19H28N6O4S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
PubChem CID146318103
Molecular FormulaC19H28N6O4S
Molecular Weight436.54 g/mol
Exact Mass436.19
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILES[H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(OC)nc1C(C)C)c1cnn2c1OCCC2
InChIInChI=1S/C19H28N6O4S/c1-11(2)13-9-15(28-5)22-16(12(3)4)17(13)23-19(26)24-30(20,27)14-10-21-25-7-6-8-29-18(14)25/h9-12H,6-8H2,1-5H3,(H3,20,23,24,26,27)
InChIKeyMYBNSBWWEBZUQV-UHFFFAOYSA-N
XLogP3.46
TPSA131.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (CID 146318103) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is [H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(OC)nc1C(C)C)c1cnn2c1OCCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The InChIKey is MYBNSBWWEBZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4S/c1-11(2)13-9-15(28-5)22-16(12(3)4)17(13)23-19(26)24-30(20,27)14-10-21-25-7-6-8-29-18(14)25/h9-12H,6-8H2,1-5H3,(H3,20,23,24,26,27).
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea has a molecular weight of 436.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 146318103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).