9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

C141H102F3N23O11S — CID 159544382

About 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159544382) has the molecular formula C141H102F3N23O11S and a molecular weight of 2383.58 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159544382
• Molecular Formula: C141H102F3N23O11S
• Molecular Weight: 2383.58 g/mol
• Exact Mass: 2381.78
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
• SMILES: C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N)nc6)cc5c43)cc21.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc21.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc(N)cc6C(F)(F)F)cc5c43)cc21.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5csc(C(N)=O)c5)cc4c32)ccc1C
• InChI: InChI=1S/C31H22N4O2.C29H20F3N5O2.C28H21N5O2.C27H20N4O3S.C26H19N5O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23;1-2-26(38)36-10-9-16-3-6-19(12-24(16)36)37-27(39)8-5-18-14-34-23-7-4-17(11-20(23)28(18)37)21-15-35-25(33)13-22(21)29(30,31)32;1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19;1-3-24(32)30-22-12-19(7-4-15(22)2)31-25(33)9-6-17-13-29-21-8-5-16(10-20(21)26(17)31)18-11-23(27(28)34)35-14-18;1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h3-18H,1H2,2H3,(H,34,36);2-8,11-15H,1,9-10H2,(H2,33,35);2-10,13-16H,1,11-12H2,(H2,29,31);3-14H,1H2,2H3,(H2,28,34)(H,30,32);2-8,11-15H,1,9-10H2,(H,28,29)
• InChIKey: MEPOTKQLKKUYDM-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 456.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.58
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (CID 159544382) is 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N)nc6)cc5c43)cc21.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc21.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc(N)cc6C(F)(F)F)cc5c43)cc21.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1C.C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5csc(C(N)=O)c5)cc4c32)ccc1C.

What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?

The InChIKey is MEPOTKQLKKUYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O2.C29H20F3N5O2.C28H21N5O2.C27H20N4O3S.C26H19N5O2/c1-3-29(36)34-28-16-24(11-8-19(28)2)35-30(37)13-10-22-17-33-27-12-9-20(15-25(27)31(22)35)23-14-21-6-4-5-7-26(21)32-18-23;1-2-26(38)36-10-9-16-3-6-19(12-24(16)36)37-27(39)8-5-18-14-34-23-7-4-17(11-20(23)28(18)37)21-15-35-25(33)13-22(21)29(30,31)32;1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19;1-3-24(32)30-22-12-19(7-4-15(22)2)31-25(33)9-6-17-13-29-21-8-5-16(10-20(21)26(17)31)18-11-23(27(28)34)35-14-18;1-2-24(32)30-10-9-16-3-6-20(12-23(16)30)31-25(33)8-5-18-13-27-22-7-4-17(11-21(22)26(18)31)19-14-28-29-15-19/h3-18H,1H2,2H3,(H,34,36);2-8,11-15H,1,9-10H2,(H2,33,35);2-10,13-16H,1,11-12H2,(H2,29,31);3-14H,1H2,2H3,(H2,28,34)(H,30,32);2-8,11-15H,1,9-10H2,(H,28,29).

What are the key properties of 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?

9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2383.58 g/mol, XLogP of 24.53, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159544382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).