3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea

C163H119Cl6N29O14S5 — CID 160604224

About 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea

3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 160604224) has the molecular formula C163H119Cl6N29O14S5 and a molecular weight of 3080.99 g/mol. Its IUPAC name is 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

• Compound Name: 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
• PubChem CID: 160604224
• Molecular Formula: C163H119Cl6N29O14S5
• Molecular Weight: 3080.99 g/mol
• Exact Mass: 3075.62
• IUPAC Name: 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
• SMILES: Cc1ccc(NC(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)nc1.Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CS(=O)(=O)c1ccccc1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CS(=O)c1ccccc1.O=c1ccc2c(CS(=O)(=O)C3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(CS(=O)C3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1
• InChI: InChI=1S/C29H22ClN7O2.C28H21ClN6O2S.C28H19ClN4O3S.C28H19ClN4O2S.C25H19ClN4O3S.C25H19ClN4O2S/c1-16-7-8-24(31-13-16)34-29(39)32-14-21-10-19-11-22(18-9-20-15-33-37-26(20)23(30)12-18)25(17-5-3-2-4-6-17)35-27(19)36-28(21)38;1-16-7-8-22(15-30-16)38(37)32-14-21-10-19-11-23(18-9-20-13-31-35-26(20)24(29)12-18)25(17-5-3-2-4-6-17)33-27(19)34-28(21)36;29-24-14-18(11-20-15-30-33-26(20)24)23-13-19-12-21(16-37(35,36)22-9-5-2-6-10-22)28(34)32-27(19)31-25(23)17-7-3-1-4-8-17;29-24-14-18(11-20-15-30-33-26(20)24)23-13-19-12-21(16-36(35)22-9-5-2-6-10-22)28(34)32-27(19)31-25(23)17-7-3-1-4-8-17;26-20-11-15(10-16-12-27-30-23(16)20)22-19(13-34(32,33)17-6-7-17)18-8-9-21(31)28-25(18)29-24(22)14-4-2-1-3-5-14;26-20-11-15(10-16-12-27-30-23(16)20)22-19(13-33(32)17-6-7-17)18-8-9-21(31)28-25(18)29-24(22)14-4-2-1-3-5-14/h2-13,15H,14H2,1H3,(H,33,37)(H,35,36,38)(H2,31,32,34,39);2-13,15,32H,14H2,1H3,(H,31,35)(H,33,34,36);1-15H,16H2,(H,30,33)(H,31,32,34);1-15H,16H2,(H,30,33)(H,31,32,34);1-5,8-12,17H,6-7,13H2,(H,27,30)(H,28,29,31);1-5,8-12,17H,6-7,13H2,(H,27,30)(H,28,29,31)
• InChIKey: REQYGPPINPIZDQ-UHFFFAOYSA-N
• XLogP: 33.03
• TPSA: 645.01 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3080.99
LogP ≤ 5	33.03
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea?

The IUPAC name of 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea (CID 160604224) is 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea.

What is the SMILES notation for 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea?

The canonical SMILES for 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)nc1.Cc1ccc(S(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CS(=O)(=O)c1ccccc1.O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CS(=O)c1ccccc1.O=c1ccc2c(CS(=O)(=O)C3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2c(CS(=O)C3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1.

What is the InChIKey of 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea?

The InChIKey is REQYGPPINPIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN7O2.C28H21ClN6O2S.C28H19ClN4O3S.C28H19ClN4O2S.C25H19ClN4O3S.C25H19ClN4O2S/c1-16-7-8-24(31-13-16)34-29(39)32-14-21-10-19-11-22(18-9-20-15-33-37-26(20)23(30)12-18)25(17-5-3-2-4-6-17)35-27(19)36-28(21)38;1-16-7-8-22(15-30-16)38(37)32-14-21-10-19-11-23(18-9-20-13-31-35-26(20)24(29)12-18)25(17-5-3-2-4-6-17)33-27(19)34-28(21)36;29-24-14-18(11-20-15-30-33-26(20)24)23-13-19-12-21(16-37(35,36)22-9-5-2-6-10-22)28(34)32-27(19)31-25(23)17-7-3-1-4-8-17;29-24-14-18(11-20-15-30-33-26(20)24)23-13-19-12-21(16-36(35)22-9-5-2-6-10-22)28(34)32-27(19)31-25(23)17-7-3-1-4-8-17;26-20-11-15(10-16-12-27-30-23(16)20)22-19(13-34(32,33)17-6-7-17)18-8-9-21(31)28-25(18)29-24(22)14-4-2-1-3-5-14;26-20-11-15(10-16-12-27-30-23(16)20)22-19(13-33(32)17-6-7-17)18-8-9-21(31)28-25(18)29-24(22)14-4-2-1-3-5-14/h2-13,15H,14H2,1H3,(H,33,37)(H,35,36,38)(H2,31,32,34,39);2-13,15,32H,14H2,1H3,(H,31,35)(H,33,34,36);1-15H,16H2,(H,30,33)(H,31,32,34);1-15H,16H2,(H,30,33)(H,31,32,34);1-5,8-12,17H,6-7,13H2,(H,27,30)(H,28,29,31);1-5,8-12,17H,6-7,13H2,(H,27,30)(H,28,29,31).

What are the key properties of 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea?

3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 3080.99 g/mol, XLogP of 33.03, 31 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfinylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(benzenesulfonylmethyl)-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfinylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylsulfonylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfinamide;1-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 160604224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).