9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol

C36H43F3N4O2 — CID 123706734

IUPAC9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol
SMILESCCCNCCC(CC)c1ccc(N2c3c(cnc4ccc(-c5ccc(OC)nc5)cc34)CC(C(C)C)C2O)cc1C(F)(F)F
InChIInChI=1S/C36H43F3N4O2/c1-6-15-40-16-14-23(7-2)28-11-10-27(19-31(28)36(37,38)39)43-34-26(18-29(22(3)4)35(43)44)21-41-32-12-8-24(17-30(32)34)25-9-13-33(45-5)42-20-25/h8-13,17,19-23,29,35,40,44H,6-7,14-16,18H2,1-5H3
InChIKeyDVHLVGZRXGFEKE-UHFFFAOYSA-N
MW620.76 g/mol
LogP8.49
Rot. Bonds11

About 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol

9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol (PubChem CID 123706734) has the molecular formula C36H43F3N4O2 and a molecular weight of 620.76 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol
PubChem CID123706734
Molecular FormulaC36H43F3N4O2
Molecular Weight620.76 g/mol
Exact Mass620.33
IUPAC Name9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol
SMILESCCCNCCC(CC)c1ccc(N2c3c(cnc4ccc(-c5ccc(OC)nc5)cc34)CC(C(C)C)C2O)cc1C(F)(F)F
InChIInChI=1S/C36H43F3N4O2/c1-6-15-40-16-14-23(7-2)28-11-10-27(19-31(28)36(37,38)39)43-34-26(18-29(22(3)4)35(43)44)21-41-32-12-8-24(17-30(32)34)25-9-13-33(45-5)42-20-25/h8-13,17,19-23,29,35,40,44H,6-7,14-16,18H2,1-5H3
InChIKeyDVHLVGZRXGFEKE-UHFFFAOYSA-N
XLogP8.49
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol with MolForge

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Related Compounds

BGT-226 free base
CID 11978790
1-(4-fluoro-3-methylphenyl)-9-(6-methoxypyridin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350919
9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 70228788
4-[[4-[4-(2-Methoxy-3-pyridyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593959
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methoxyphenyl)quinolin-6-yl]-6-fluorophenyl]carbamate
CID 140836918
1-[3-(3-Fluoro-5-methoxyphenyl)-6-(2,3,5-trifluoro-6-hydroxyphenyl)quinolin-4-yl]piperidin-4-ol
CID 140836932
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methoxyphenyl)quinolin-6-yl]-4,6-difluorophenyl]carbamate
CID 140836992
1-[2-[4-(4-Aminopiperidin-1-yl)-3-(3-fluoro-5-methoxyphenyl)quinolin-6-yl]-6-fluorophenyl]-3-methoxyurea
CID 140837089
1-[2-[4-(4-Aminopiperidin-1-yl)-3-(3-fluoro-5-methoxyphenyl)quinolin-6-yl]-4,6-difluorophenyl]-3-methoxyurea
CID 140837095
(NE)-N-[[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methoxyphenyl)quinolin-6-yl]-6-fluorophenyl]methylidene]hydroxylamine
CID 146676575
N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162657760
9-(2-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 155249548

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol (CID 123706734) is 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol is CCCNCCC(CC)c1ccc(N2c3c(cnc4ccc(-c5ccc(OC)nc5)cc34)CC(C(C)C)C2O)cc1C(F)(F)F.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol?
The InChIKey is DVHLVGZRXGFEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43F3N4O2/c1-6-15-40-16-14-23(7-2)28-11-10-27(19-31(28)36(37,38)39)43-34-26(18-29(22(3)4)35(43)44)21-41-32-12-8-24(17-30(32)34)25-9-13-33(45-5)42-20-25/h8-13,17,19-23,29,35,40,44H,6-7,14-16,18H2,1-5H3.
What are the key properties of 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol?
9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol has a molecular weight of 620.76 g/mol, XLogP of 8.49, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-3-propan-2-yl-1-[4-[1-(propylamino)pentan-3-yl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-2-ol is sourced from PubChem (CID 123706734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).