9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C124H114F6N22O4 — CID 160916719

About 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 160916719) has the molecular formula C124H114F6N22O4 and a molecular weight of 2090.41 g/mol. Its IUPAC name is 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 160916719
• Molecular Formula: C124H114F6N22O4
• Molecular Weight: 2090.41 g/mol
• Exact Mass: 2088.93
• IUPAC Name: 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: CN1CCN(Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc7c(c6)C=NC7)cc5c43)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1CN1CCN(C)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C34H28F3N5O.C33H28F3N5O.C29H30N6O.C28H28N6O/c1-40-12-14-41(15-13-40)21-25-6-9-27(18-29(25)34(35,36)37)42-32(43)11-8-24-19-39-31-10-7-22(17-28(31)33(24)42)26-16-23-4-2-3-5-30(23)38-20-26;1-39-10-12-40(13-11-39)20-25-4-7-27(16-29(25)33(34,35)36)41-31(42)9-6-24-19-38-30-8-5-22(15-28(30)32(24)41)21-2-3-23-17-37-18-26(23)14-21;1-20-14-25(7-4-23(20)19-34-12-10-32(2)11-13-34)35-28(36)9-6-22-16-30-27-8-5-21(15-26(27)29(22)35)24-17-31-33(3)18-24;1-19-13-24(6-3-22(19)18-33-11-9-32(2)10-12-33)34-27(35)8-5-21-15-29-26-7-4-20(14-25(26)28(21)34)23-16-30-31-17-23/h2-11,16-20H,12-15,21H2,1H3;2-9,14-16,18-19H,10-13,17,20H2,1H3;4-9,14-18H,10-13,19H2,1-3H3;3-8,13-17H,9-12,18H2,1-2H3,(H,30,31)
• InChIKey: SRMMWJSAIHFZPZ-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 237.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.41
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 160916719) is 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is CN1CCN(Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc7c(c6)C=NC7)cc5c43)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1CN1CCN(C)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1CN1CCN(C)CC1.

What is the InChIKey of 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is SRMMWJSAIHFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N5O.C33H28F3N5O.C29H30N6O.C28H28N6O/c1-40-12-14-41(15-13-40)21-25-6-9-27(18-29(25)34(35,36)37)42-32(43)11-8-24-19-39-31-10-7-22(17-28(31)33(24)42)26-16-23-4-2-3-5-30(23)38-20-26;1-39-10-12-40(13-11-39)20-25-4-7-27(16-29(25)33(34,35)36)41-31(42)9-6-24-19-38-30-8-5-22(15-28(30)32(24)41)21-2-3-23-17-37-18-26(23)14-21;1-20-14-25(7-4-23(20)19-34-12-10-32(2)11-13-34)35-28(36)9-6-22-16-30-27-8-5-21(15-26(27)29(22)35)24-17-31-33(3)18-24;1-19-13-24(6-3-22(19)18-33-11-9-32(2)10-12-33)34-27(35)8-5-21-15-29-26-7-4-20(14-25(26)28(21)34)23-16-30-31-17-23/h2-11,16-20H,12-15,21H2,1H3;2-9,14-16,18-19H,10-13,17,20H2,1H3;4-9,14-18H,10-13,19H2,1-3H3;3-8,13-17H,9-12,18H2,1-2H3,(H,30,31).

What are the key properties of 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2090.41 g/mol, XLogP of 20.40, 16 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1H-isoindol-5-yl)-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 160916719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).