9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C130H96F12N18O7 — CID 159450763

IUPAC9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.Cc1n[nH]c2ccc(-c3ccc4ncc5ccc(=O)n(-c6ccc(-c7ccc(C(=O)N8CCN(C)CC8)cc7)c(C(F)(F)F)c6)c5c4c3)cc12.O=C(CN1CCOCC1)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C39H31F3N6O2.C38H33F3N6O3.C28H16F3N3O.C25H16F3N3O/c1-23-31-19-26(8-13-35(31)45-44-23)27-7-12-34-32(20-27)37-28(22-43-34)9-14-36(49)48(37)29-10-11-30(33(21-29)39(40,41)42)24-3-5-25(6-4-24)38(50)47-17-15-46(2)16-18-47;39-38(40,41)31-21-29(7-9-34(31)45-11-13-46(14-12-45)36(49)24-44-15-17-50-18-16-44)47-35(48)10-6-27-22-43-33-8-5-25(20-30(33)37(27)47)28-19-26-3-1-2-4-32(26)42-23-28;29-28(30,31)21-5-3-6-22(14-21)34-26(35)11-9-19-15-33-25-10-8-17(13-23(25)27(19)34)20-12-18-4-1-2-7-24(18)32-16-20;1-15-5-6-17(13-29-15)16-7-9-22-21(11-16)24-18(14-30-22)8-10-23(32)31(24)20-4-2-3-19(12-20)25(26,27)28/h3-14,19-22H,15-18H2,1-2H3,(H,44,45);1-10,19-23H,11-18,24H2;1-16H;2-14H,1H3
InChIKeyLTIPHTGABABDOS-UHFFFAOYSA-N
MW2250.29 g/mol
LogP25.92
Rot. Bonds13

About 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 159450763) has the molecular formula C130H96F12N18O7 and a molecular weight of 2250.29 g/mol. Its IUPAC name is 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
PubChem CID159450763
Molecular FormulaC130H96F12N18O7
Molecular Weight2250.29 g/mol
Exact Mass2248.75
IUPAC Name9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.Cc1n[nH]c2ccc(-c3ccc4ncc5ccc(=O)n(-c6ccc(-c7ccc(C(=O)N8CCN(C)CC8)cc7)c(C(F)(F)F)c6)c5c4c3)cc12.O=C(CN1CCOCC1)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C39H31F3N6O2.C38H33F3N6O3.C28H16F3N3O.C25H16F3N3O/c1-23-31-19-26(8-13-35(31)45-44-23)27-7-12-34-32(20-27)37-28(22-43-34)9-14-36(49)48(37)29-10-11-30(33(21-29)39(40,41)42)24-3-5-25(6-4-24)38(50)47-17-15-46(2)16-18-47;39-38(40,41)31-21-29(7-9-34(31)45-11-13-46(14-12-45)36(49)24-44-15-17-50-18-16-44)47-35(48)10-6-27-22-43-33-8-5-25(20-30(33)37(27)47)28-19-26-3-1-2-4-32(26)42-23-28;29-28(30,31)21-5-3-6-22(14-21)34-26(35)11-9-19-15-33-25-10-8-17(13-23(25)27(19)34)20-12-18-4-1-2-7-24(18)32-16-20;1-15-5-6-17(13-29-15)16-7-9-22-21(11-16)24-18(14-30-22)8-10-23(32)31(24)20-4-2-3-19(12-20)25(26,27)28/h3-14,19-22H,15-18H2,1-2H3,(H,44,45);1-10,19-23H,11-18,24H2;1-16H;2-14H,1H3
InChIKeyLTIPHTGABABDOS-UHFFFAOYSA-N
XLogP25.92
TPSA266.48 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.29
LogP ≤ 525.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 56666496
N-methyl-4-[1-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 168269088
6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-7-carboxamide
CID 154629973
N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide
CID 156597493
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide
CID 156598095
N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide
CID 156597596
9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 58525050
9-(3-methyl-2H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 58525215
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67159075
morpholino(5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyridin-2-yl)methanone
CID 71736825

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 159450763) is 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.Cc1n[nH]c2ccc(-c3ccc4ncc5ccc(=O)n(-c6ccc(-c7ccc(C(=O)N8CCN(C)CC8)cc7)c(C(F)(F)F)c6)c5c4c3)cc12.O=C(CN1CCOCC1)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The InChIKey is LTIPHTGABABDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31F3N6O2.C38H33F3N6O3.C28H16F3N3O.C25H16F3N3O/c1-23-31-19-26(8-13-35(31)45-44-23)27-7-12-34-32(20-27)37-28(22-43-34)9-14-36(49)48(37)29-10-11-30(33(21-29)39(40,41)42)24-3-5-25(6-4-24)38(50)47-17-15-46(2)16-18-47;39-38(40,41)31-21-29(7-9-34(31)45-11-13-46(14-12-45)36(49)24-44-15-17-50-18-16-44)47-35(48)10-6-27-22-43-33-8-5-25(20-30(33)37(27)47)28-19-26-3-1-2-4-32(26)42-23-28;29-28(30,31)21-5-3-6-22(14-21)34-26(35)11-9-19-15-33-25-10-8-17(13-23(25)27(19)34)20-12-18-4-1-2-7-24(18)32-16-20;1-15-5-6-17(13-29-15)16-7-9-22-21(11-16)24-18(14-30-22)8-10-23(32)31(24)20-4-2-3-19(12-20)25(26,27)28/h3-14,19-22H,15-18H2,1-2H3,(H,44,45);1-10,19-23H,11-18,24H2;1-16H;2-14H,1H3.
What are the key properties of 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2250.29 g/mol, XLogP of 25.92, 13 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159450763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).