3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide

C168H130Cl6N30O14S4 — CID 162163190

About 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide

3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide (PubChem CID 162163190) has the molecular formula C168H130Cl6N30O14S4 and a molecular weight of 3134.07 g/mol. Its IUPAC name is 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide.

Molecular Properties

• Compound Name: 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide
• PubChem CID: 162163190
• Molecular Formula: C168H130Cl6N30O14S4
• Molecular Weight: 3134.07 g/mol
• Exact Mass: 3128.74
• IUPAC Name: 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide
• SMILES: CN1CCN(Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1.Cc1ccc(CS(=O)(=O)Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(CS(=O)Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=C(Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O)CS(=O)(=O)c1ccccc1.O=c1ccc2c(CC3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1
• InChI: InChI=1S/C30H21ClN4O4S.C29H22ClN5O3S.C29H22ClN5O2S.C28H21ClN6O3S.C27H25ClN6O.C25H19ClN4O/c31-26-15-19(11-22-16-32-35-28(22)26)25-14-20-12-21(13-23(36)17-40(38,39)24-9-5-2-6-10-24)30(37)34-29(20)33-27(25)18-7-3-1-4-8-18;1-17-7-8-18(13-31-17)15-39(37,38)16-23-10-21-11-24(20-9-22-14-32-35-27(22)25(30)12-20)26(19-5-3-2-4-6-19)33-28(21)34-29(23)36;1-17-7-8-18(13-31-17)15-38(37)16-23-10-21-11-24(20-9-22-14-32-35-27(22)25(30)12-20)26(19-5-3-2-4-6-19)33-28(21)34-29(23)36;1-16-7-8-22(15-30-16)39(37,38)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;1-33-7-9-34(10-8-33)16-21-12-19-13-22(18-11-20-15-29-32-25(20)23(28)14-18)24(17-5-3-2-4-6-17)30-26(19)31-27(21)35;26-20-12-16(11-17-13-27-30-23(17)20)22-19(10-14-6-7-14)18-8-9-21(31)28-25(18)29-24(22)15-4-2-1-3-5-15/h1-12,14-16H,13,17H2,(H,32,35)(H,33,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,34,36);2-14H,15-16H2,1H3,(H,32,35)(H,33,34,36);2-13,15,32H,14H2,1H3,(H,31,35)(H,33,34,36);2-6,11-15H,7-10,16H2,1H3,(H,29,32)(H,30,31,35);1-5,8-9,11-14H,6-7,10H2,(H,27,30)(H,28,29,31)
• InChIKey: ZMTPLALNFUPDGD-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 640.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3134.07
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide?

The IUPAC name of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide (CID 162163190) is 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide.

What is the SMILES notation for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide?

The canonical SMILES for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide is CN1CCN(Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1.Cc1ccc(CS(=O)(=O)Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(CS(=O)Cc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.Cc1ccc(S(=O)(=O)NCc2cc3cc(-c4cc(Cl)c5[nH]ncc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.O=C(Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O)CS(=O)(=O)c1ccccc1.O=c1ccc2c(CC3CC3)c(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]1.

What is the InChIKey of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide?

The InChIKey is ZMTPLALNFUPDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClN4O4S.C29H22ClN5O3S.C29H22ClN5O2S.C28H21ClN6O3S.C27H25ClN6O.C25H19ClN4O/c31-26-15-19(11-22-16-32-35-28(22)26)25-14-20-12-21(13-23(36)17-40(38,39)24-9-5-2-6-10-24)30(37)34-29(20)33-27(25)18-7-3-1-4-8-18;1-17-7-8-18(13-31-17)15-39(37,38)16-23-10-21-11-24(20-9-22-14-32-35-27(22)25(30)12-20)26(19-5-3-2-4-6-19)33-28(21)34-29(23)36;1-17-7-8-18(13-31-17)15-38(37)16-23-10-21-11-24(20-9-22-14-32-35-27(22)25(30)12-20)26(19-5-3-2-4-6-19)33-28(21)34-29(23)36;1-16-7-8-22(15-30-16)39(37,38)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;1-33-7-9-34(10-8-33)16-21-12-19-13-22(18-11-20-15-29-32-25(20)23(28)14-18)24(17-5-3-2-4-6-17)30-26(19)31-27(21)35;26-20-12-16(11-17-13-27-30-23(17)20)22-19(10-14-6-7-14)18-8-9-21(31)28-25(18)29-24(22)15-4-2-1-3-5-15/h1-12,14-16H,13,17H2,(H,32,35)(H,33,34,37);2-14H,15-16H2,1H3,(H,32,35)(H,33,34,36);2-14H,15-16H2,1H3,(H,32,35)(H,33,34,36);2-13,15,32H,14H2,1H3,(H,31,35)(H,33,34,36);2-6,11-15H,7-10,16H2,1H3,(H,29,32)(H,30,31,35);1-5,8-9,11-14H,6-7,10H2,(H,27,30)(H,28,29,31).

What are the key properties of 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide?

3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide has a molecular weight of 3134.07 g/mol, XLogP of 32.16, 33 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfinylmethyl]-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(6-methyl-3-pyridinyl)methylsulfonylmethyl]-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-sulfonamide is sourced from PubChem (CID 162163190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).