1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea

C43H60F2N10O9S2 — CID 159284413

About 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea

1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (PubChem CID 159284413) has the molecular formula C43H60F2N10O9S2 and a molecular weight of 963.14 g/mol. Its IUPAC name is 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.

Molecular Properties

• Compound Name: 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
• PubChem CID: 159284413
• Molecular Formula: C43H60F2N10O9S2
• Molecular Weight: 963.14 g/mol
• Exact Mass: 962.40
• IUPAC Name: 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
• SMILES: CC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)c1cc(OC2CC2)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2
• InChI: InChI=1S/C22H31F2N5O4S.C21H29N5O5S/c1-12(2)14-8-16(22(7,23)24)26-17(13(3)4)18(14)27-20(30)28-34(31,32)15-9-25-29-10-21(5,6)11-33-19(15)29;1-12(2)15-10-17(31-14-6-7-14)23-18(13(3)4)19(15)24-21(27)25-32(28,29)16-11-22-26-8-5-9-30-20(16)26/h8-9,12-13H,10-11H2,1-7H3,(H2,27,28,30);10-14H,5-9H2,1-4H3,(H2,24,25,27)
• InChIKey: KZICPNRNMGPVCB-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 239.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.14
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?

The IUPAC name of 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (CID 159284413) is 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.

What is the SMILES notation for 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?

The canonical SMILES for 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is CC(C)c1cc(C(C)(F)F)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCC(C)(C)C2.CC(C)c1cc(OC2CC2)nc(C(C)C)c1NC(=O)NS(=O)(=O)c1cnn2c1OCCC2.

What is the InChIKey of 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?

The InChIKey is KZICPNRNMGPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N5O4S.C21H29N5O5S/c1-12(2)14-8-16(22(7,23)24)26-17(13(3)4)18(14)27-20(30)28-34(31,32)15-9-25-29-10-21(5,6)11-33-19(15)29;1-12(2)15-10-17(31-14-6-7-14)23-18(13(3)4)19(15)24-21(27)25-32(28,29)16-11-22-26-8-5-9-30-20(16)26/h8-9,12-13H,10-11H2,1-7H3,(H2,27,28,30);10-14H,5-9H2,1-4H3,(H2,24,25,27).

What are the key properties of 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?

1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea has a molecular weight of 963.14 g/mol, XLogP of 7.92, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-cyclopropyloxy-2,4-di(propan-2-yl)-3-pyridinyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-[6-(1,1-difluoroethyl)-2,4-di(propan-2-yl)-3-pyridinyl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is sourced from PubChem (CID 159284413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).