1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea

C77H94N18O13S3 — CID 157137548

About 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea (PubChem CID 157137548) has the molecular formula C77H94N18O13S3 and a molecular weight of 1575.91 g/mol. Its IUPAC name is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea
• PubChem CID: 157137548
• Molecular Formula: C77H94N18O13S3
• Molecular Weight: 1575.91 g/mol
• Exact Mass: 1574.64
• IUPAC Name: 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea
• SMILES: CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCC3)n1.CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCO3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCN(C)C4)n2)CCC3)ccn1
• InChI: InChI=1S/C27H34N6O4S.C26H32N6O5S.C24H28N6O4S/c1-27(2,17-32(3)4)33-15-13-24(30-33)38(35,36)31-26(34)29-25-21-7-5-6-18(21)8-11-22(25)19-12-14-28-23(16-19)37-20-9-10-20;1-26(2,16-31(3)4)32-13-10-23(29-32)38(34,35)30-25(33)28-24-19(7-8-21-20(24)11-14-36-21)17-9-12-27-22(15-17)37-18-5-6-18;1-29-12-9-18(15-29)30-13-10-22(27-30)35(32,33)28-24(31)26-23-19-5-3-4-16(19)6-7-20(23)17-8-11-25-21(14-17)34-2/h8,11-16,20H,5-7,9-10,17H2,1-4H3,(H2,29,31,34);7-10,12-13,15,18H,5-6,11,14,16H2,1-4H3,(H2,28,30,33);6-8,10-11,13-14,18H,3-5,9,12,15H2,1-2H3,(H2,26,28,31)
• InChIKey: AJUKEBGQQCFGTQ-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 364.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1575.91
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea (CID 157137548) is 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea is CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCC3)n1.CN(C)CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCO3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCN(C)C4)n2)CCC3)ccn1.

What is the InChIKey of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea?

The InChIKey is AJUKEBGQQCFGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.C26H32N6O5S.C24H28N6O4S/c1-27(2,17-32(3)4)33-15-13-24(30-33)38(35,36)31-26(34)29-25-21-7-5-6-18(21)8-11-22(25)19-12-14-28-23(16-19)37-20-9-10-20;1-26(2,16-31(3)4)32-13-10-23(29-32)38(34,35)30-25(33)28-24-19(7-8-21-20(24)11-14-36-21)17-9-12-27-22(15-17)37-18-5-6-18;1-29-12-9-18(15-29)30-13-10-22(27-30)35(32,33)28-24(31)26-23-19-5-3-4-16(19)6-7-20(23)17-8-11-25-21(14-17)34-2/h8,11-16,20H,5-7,9-10,17H2,1-4H3,(H2,29,31,34);7-10,12-13,15,18H,5-6,11,14,16H2,1-4H3,(H2,28,30,33);6-8,10-11,13-14,18H,3-5,9,12,15H2,1-2H3,(H2,26,28,31).

What are the key properties of 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea?

1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea has a molecular weight of 1575.91 g/mol, XLogP of 9.84, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 157137548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).