1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea

C19H30N6O5S — CID 162462345

IUPAC1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
SMILESCCn1nc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OC[C@H](OC)C3)c1C(C)C
InChIInChI=1S/C19H30N6O5S/c1-7-24-17(12(4)5)16(15(22-24)11(2)3)21-19(26)23-31(27,28)14-8-20-25-9-13(29-6)10-30-18(14)25/h8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26)/t13-/m1/s1
InChIKeyLMJLDCAGGOWAOO-CYBMUJFWSA-N
MW454.55 g/mol
LogP2.26
Rot. Bonds7

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

1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea (PubChem CID 162462345) has the molecular formula C19H30N6O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea.

Molecular Properties

Compound Name1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
PubChem CID162462345
Molecular FormulaC19H30N6O5S
Molecular Weight454.55 g/mol
Exact Mass454.20
IUPAC Name1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
SMILESCCn1nc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OC[C@H](OC)C3)c1C(C)C
InChIInChI=1S/C19H30N6O5S/c1-7-24-17(12(4)5)16(15(22-24)11(2)3)21-19(26)23-31(27,28)14-8-20-25-9-13(29-6)10-30-18(14)25/h8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26)/t13-/m1/s1
InChIKeyLMJLDCAGGOWAOO-CYBMUJFWSA-N
XLogP2.26
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The IUPAC name of 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea (CID 162462345) is 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea.
What is the SMILES notation for 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The canonical SMILES for 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea is CCn1nc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OC[C@H](OC)C3)c1C(C)C.
What is the InChIKey of 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The InChIKey is LMJLDCAGGOWAOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H30N6O5S/c1-7-24-17(12(4)5)16(15(22-24)11(2)3)21-19(26)23-31(27,28)14-8-20-25-9-13(29-6)10-30-18(14)25/h8,11-13H,7,9-10H2,1-6H3,(H2,21,23,26)/t13-/m1/s1.
What are the key properties of 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea has a molecular weight of 454.55 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3,5-di(propan-2-yl)pyrazol-4-yl]-3-[[(6R)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea is sourced from PubChem (CID 162462345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).