1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C94H105N19O15S4 — CID 159637959

About 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 159637959) has the molecular formula C94H105N19O15S4 and a molecular weight of 1869.26 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

• Compound Name: 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea
• PubChem CID: 159637959
• Molecular Formula: C94H105N19O15S4
• Molecular Weight: 1869.26 g/mol
• Exact Mass: 1867.69
• IUPAC Name: 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)ccc3c2CCCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)nc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(CN(C)C)c2)CCC3)ccn1
• InChI: InChI=1S/2C24H27N5O4S.C24H26N4O4S.C22H25N5O3S/c1-29(2)15-18-8-9-19(14-26-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-10-21(23)17-11-12-25-22(13-17)33-3;1-29(2)15-18-14-19(10-12-25-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-8-21(23)17-9-11-26-22(13-17)33-3;1-15(2)21-14-18(10-12-25-21)33(30,31)28-24(29)27-23-19-6-4-5-16(19)7-8-20(23)17-9-11-26-22(13-17)32-3;1-15(2)27-13-11-20(25-27)31(29,30)26-22(28)24-21-18-8-4-3-6-16(18)9-10-19(21)17-7-5-12-23-14-17/h2*7-14H,4-6,15H2,1-3H3,(H2,27,28,30);7-15H,4-6H2,1-3H3,(H2,27,28,29);5,7,9-15H,3-4,6,8H2,1-2H3,(H2,24,26,28)
• InChIKey: MPZDOCNKXNGZLU-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 443.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1869.26
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea?

The IUPAC name of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 159637959) is 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea?

The canonical SMILES for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)ccc3c2CCCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)nc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(CN(C)C)c2)CCC3)ccn1.

What is the InChIKey of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea?

The InChIKey is MPZDOCNKXNGZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27N5O4S.C24H26N4O4S.C22H25N5O3S/c1-29(2)15-18-8-9-19(14-26-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-10-21(23)17-11-12-25-22(13-17)33-3;1-29(2)15-18-14-19(10-12-25-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-8-21(23)17-9-11-26-22(13-17)33-3;1-15(2)21-14-18(10-12-25-21)33(30,31)28-24(29)27-23-19-6-4-5-16(19)7-8-20(23)17-9-11-26-22(13-17)32-3;1-15(2)27-13-11-20(25-27)31(29,30)26-22(28)24-21-18-8-4-3-6-16(18)9-10-19(21)17-7-5-12-23-14-17/h2*7-14H,4-6,15H2,1-3H3,(H2,27,28,30);7-15H,4-6H2,1-3H3,(H2,27,28,29);5,7,9-15H,3-4,6,8H2,1-2H3,(H2,24,26,28).

What are the key properties of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea?

1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 1869.26 g/mol, XLogP of 14.62, 25 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea;1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(2-pyridin-3-yl-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 159637959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).