1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea

C79H114F3N23O17S4 — CID 157401962

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (PubChem CID 157401962) has the molecular formula C79H114F3N23O17S4 and a molecular weight of 1843.19 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
• PubChem CID: 157401962
• Molecular Formula: C79H114F3N23O17S4
• Molecular Weight: 1843.19 g/mol
• Exact Mass: 1841.76
• IUPAC Name: 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea
• SMILES: CC(C)c1cc(C(F)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1cc(N(C)C)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CNc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)n1.COc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OC[C@@H](N(C)C)C3)c(C(C)C)n1
• InChI: InChI=1S/C21H32N6O5S.C20H30N6O4S.C19H24F3N5O4S.C19H28N6O4S/c1-12(2)15-8-17(31-7)23-18(13(3)4)19(15)24-21(28)25-33(29,30)16-9-22-27-10-14(26(5)6)11-32-20(16)27;1-12(2)14-10-16(25(5)6)22-17(13(3)4)18(14)23-20(27)24-31(28,29)15-11-21-26-8-7-9-30-19(15)26;1-10(2)12-8-14(19(20,21)22)24-15(11(3)4)16(12)25-18(28)26-32(29,30)13-9-23-27-6-5-7-31-17(13)27;1-11(2)13-9-15(20-5)22-16(12(3)4)17(13)23-19(26)24-30(27,28)14-10-21-25-7-6-8-29-18(14)25/h8-9,12-14H,10-11H2,1-7H3,(H2,24,25,28);10-13H,7-9H2,1-6H3,(H2,23,24,27);8-11H,5-7H2,1-4H3,(H2,25,26,28);9-12H,6-8H2,1-5H3,(H,20,22)(H2,23,24,26)/t14-;;;/m0.../s1
• InChIKey: BNGVRDIMVZTTEA-ZSOSHZMMSA-N
• XLogP: 11.95
• TPSA: 488.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1843.19
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea (CID 157401962) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is CC(C)c1cc(C(F)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CC(C)c1cc(N(C)C)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.CNc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)n1.COc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OC[C@@H](N(C)C)C3)c(C(C)C)n1.

What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea?

The InChIKey is BNGVRDIMVZTTEA-ZSOSHZMMSA-N. The full InChI is InChI=1S/C21H32N6O5S.C20H30N6O4S.C19H24F3N5O4S.C19H28N6O4S/c1-12(2)15-8-17(31-7)23-18(13(3)4)19(15)24-21(28)25-33(29,30)16-9-22-27-10-14(26(5)6)11-32-20(16)27;1-12(2)14-10-16(25(5)6)22-17(13(3)4)18(14)23-20(27)24-31(28,29)15-11-21-26-8-7-9-30-19(15)26;1-10(2)12-8-14(19(20,21)22)24-15(11(3)4)16(12)25-18(28)26-32(29,30)13-9-23-27-6-5-7-31-17(13)27;1-11(2)13-9-15(20-5)22-16(12(3)4)17(13)23-19(26)24-30(27,28)14-10-21-25-7-6-8-29-18(14)25/h8-9,12-14H,10-11H2,1-7H3,(H2,24,25,28);10-13H,7-9H2,1-6H3,(H2,23,24,27);8-11H,5-7H2,1-4H3,(H2,25,26,28);9-12H,6-8H2,1-5H3,(H,20,22)(H2,23,24,26)/t14-;;;/m0.../s1.

What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea has a molecular weight of 1843.19 g/mol, XLogP of 11.95, 24 rotatable bonds, 9 hydrogen bond donors, and 32 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-ylsulfonyl)-3-[6-(dimethylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[2,4-di(propan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[6-(methylamino)-2,4-di(propan-2-yl)-3-pyridinyl]urea;1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[6-methoxy-2,4-di(propan-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 157401962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).