1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea

C120H112Cl5N29O21S10 — CID 158124273

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea (PubChem CID 158124273) has the molecular formula C120H112Cl5N29O21S10 and a molecular weight of 2794.33 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
• PubChem CID: 158124273
• Molecular Formula: C120H112Cl5N29O21S10
• Molecular Weight: 2794.33 g/mol
• Exact Mass: 2789.42
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
• SMILES: CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4c(cc3c2=O)CCN4)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H27ClN6O4S2.C25H25ClN6O5S2.C25H25ClN6O4S2.C23H19ClN6O4S2.C21H16ClN5O4S2/c27-22-7-9-24(38-22)39(36,37)31-26(35)30-20-5-8-23(29-17-20)33-14-10-18-16-19(4-6-21(18)25(33)34)28-11-15-32-12-2-1-3-13-32;26-21-4-6-23(38-21)39(35,36)30-25(34)29-19-2-5-22(28-16-19)32-9-7-17-15-18(1-3-20(17)24(32)33)27-8-10-31-11-13-37-14-12-31;26-21-6-8-23(37-21)38(35,36)30-25(34)29-19-4-7-22(28-16-19)32-13-9-17-15-18(3-5-20(17)24(32)33)27-10-14-31-11-1-2-12-31;1-29-11-9-25-21(29)15-2-4-17-14(12-15)8-10-30(22(17)31)19-6-3-16(13-26-19)27-23(32)28-36(33,34)20-7-5-18(24)35-20;22-17-2-4-19(32-17)33(30,31)26-21(29)25-14-1-3-18(24-11-14)27-8-6-12-10-16-13(5-7-23-16)9-15(12)20(27)28/h4-10,14,16-17,28H,1-3,11-13,15H2,(H2,30,31,35);1-7,9,15-16,27H,8,10-14H2,(H2,29,30,34);3-9,13,15-16,27H,1-2,10-12,14H2,(H2,29,30,34);2-8,10,12-13H,9,11H2,1H3,(H2,27,28,32);1-4,6,8-11,23H,5,7H2,(H2,25,26,29)
• InChIKey: FRYVJXPUMMUWJJ-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 633.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.33
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea (CID 158124273) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4c(cc3c2=O)CCN4)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea?

The InChIKey is FRYVJXPUMMUWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4S2.C25H25ClN6O5S2.C25H25ClN6O4S2.C23H19ClN6O4S2.C21H16ClN5O4S2/c27-22-7-9-24(38-22)39(36,37)31-26(35)30-20-5-8-23(29-17-20)33-14-10-18-16-19(4-6-21(18)25(33)34)28-11-15-32-12-2-1-3-13-32;26-21-4-6-23(38-21)39(35,36)30-25(34)29-19-2-5-22(28-16-19)32-9-7-17-15-18(1-3-20(17)24(32)33)27-8-10-31-11-13-37-14-12-31;26-21-6-8-23(37-21)38(35,36)30-25(34)29-19-4-7-22(28-16-19)32-13-9-17-15-18(3-5-20(17)24(32)33)27-10-14-31-11-1-2-12-31;1-29-11-9-25-21(29)15-2-4-17-14(12-15)8-10-30(22(17)31)19-6-3-16(13-26-19)27-23(32)28-36(33,34)20-7-5-18(24)35-20;22-17-2-4-19(32-17)33(30,31)26-21(29)25-14-1-3-18(24-11-14)27-8-6-12-10-16-13(5-7-23-16)9-15(12)20(27)28/h4-10,14,16-17,28H,1-3,11-13,15H2,(H2,30,31,35);1-7,9,15-16,27H,8,10-14H2,(H2,29,30,34);3-9,13,15-16,27H,1-2,10-12,14H2,(H2,29,30,34);2-8,10,12-13H,9,11H2,1H3,(H2,27,28,32);1-4,6,8-11,23H,5,7H2,(H2,25,26,29).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea has a molecular weight of 2794.33 g/mol, XLogP of 18.86, 33 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea is sourced from PubChem (CID 158124273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).