1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen

C46H57N9O8S2 — CID 142529169

About 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen

1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen (PubChem CID 142529169) has the molecular formula C46H57N9O8S2 and a molecular weight of 928.15 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen
• PubChem CID: 142529169
• Molecular Formula: C46H57N9O8S2
• Molecular Weight: 928.15 g/mol
• Exact Mass: 927.38
• IUPAC Name: 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C4CC4)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2coc(C4CC4)n2)CCC3)ccn1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H27N5O3S.C22H22N4O5S.4H2/c1-15(2)29-13-11-22(27-29)33(31,32)28-24(30)26-23-19-5-3-4-16(19)8-9-20(23)18-10-12-25-21(14-18)17-6-7-17;1-30-18-11-15(9-10-23-18)17-8-7-13-3-2-4-16(13)20(17)25-22(27)26-32(28,29)19-12-31-21(24-19)14-5-6-14;;;;/h8-15,17H,3-7H2,1-2H3,(H2,26,28,30);7-12,14H,2-6H2,1H3,(H2,25,26,27);4*1H
• InChIKey: CZUJNDHGYXTMDA-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 229.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.15
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?

The IUPAC name of 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen (CID 142529169) is 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen.

What is the SMILES notation for 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?

The canonical SMILES for 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C4CC4)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2coc(C4CC4)n2)CCC3)ccn1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?

The InChIKey is CZUJNDHGYXTMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S.C22H22N4O5S.4H2/c1-15(2)29-13-11-22(27-29)33(31,32)28-24(30)26-23-19-5-3-4-16(19)8-9-20(23)18-10-12-25-21(14-18)17-6-7-17;1-30-18-11-15(9-10-23-18)17-8-7-13-3-2-4-16(13)20(17)25-22(27)26-32(28,29)19-12-31-21(24-19)14-5-6-14;;;;/h8-15,17H,3-7H2,1-2H3,(H2,26,28,30);7-12,14H,2-6H2,1H3,(H2,25,26,27);4*1H.

What are the key properties of 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen?

1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen has a molecular weight of 928.15 g/mol, XLogP of 9.01, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-cyclopropyl-1,3-oxazol-4-yl)sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclopropyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;molecular hydrogen is sourced from PubChem (CID 142529169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).