1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane

C62H93F2N7O9Si2 — CID 159729995

IUPAC1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane
SMILESC.CCCCOCC.CCOCCCOCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O.CN(C)Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O
InChIInChI=1S/C29H40FN3O5Si.C26H35FN4O3Si.C6H14O.CH4/c1-5-35-13-6-14-36-20-23-19-32(18-22-7-9-24(30)10-8-22)26-17-31-28-25(27(23)26)11-12-33(29(28)34)38-21-37-15-16-39(2,3)4;1-29(2)16-20-17-30(15-19-6-8-21(27)9-7-19)23-14-28-25-22(24(20)23)10-11-31(26(25)32)34-18-33-12-13-35(3,4)5;1-3-5-6-7-4-2;/h7-10,17,19H,5-6,11-16,18,20-21H2,1-4H3;6-9,14,17H,10-13,15-16,18H2,1-5H3;3-6H2,1-2H3;1H4
InChIKeyNBCTWBSRHXYZRL-UHFFFAOYSA-N
MW1174.63 g/mol
LogP12.40
Rot. Bonds29

About 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane

1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane (PubChem CID 159729995) has the molecular formula C62H93F2N7O9Si2 and a molecular weight of 1174.63 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane
PubChem CID159729995
Molecular FormulaC62H93F2N7O9Si2
Molecular Weight1174.63 g/mol
Exact Mass1173.65
IUPAC Name1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane
SMILESC.CCCCOCC.CCOCCCOCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O.CN(C)Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O
InChIInChI=1S/C29H40FN3O5Si.C26H35FN4O3Si.C6H14O.CH4/c1-5-35-13-6-14-36-20-23-19-32(18-22-7-9-24(30)10-8-22)26-17-31-28-25(27(23)26)11-12-33(29(28)34)38-21-37-15-16-39(2,3)4;1-29(2)16-20-17-30(15-19-6-8-21(27)9-7-19)23-14-28-25-22(24(20)23)10-11-31(26(25)32)34-18-33-12-13-35(3,4)5;1-3-5-6-7-4-2;/h7-10,17,19H,5-6,11-16,18,20-21H2,1-4H3;6-9,14,17H,10-13,15-16,18H2,1-5H3;3-6H2,1-2H3;1H4
InChIKeyNBCTWBSRHXYZRL-UHFFFAOYSA-N
XLogP12.40
TPSA144.11 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.63
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane with MolForge

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(2-pyridin-2-ylethoxymethyl)-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53239075
1-bromo-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 158889917
3-[(4-fluorophenyl)methyl]-1-[3-(oxan-4-yloxy)prop-1-ynyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53236125
1-[[cyclopropylmethyl(methyl)amino]methyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53239073
3-[(4-fluorophenyl)methyl]-1-(methylaminomethyl)-7-(oxan-2-yloxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 89364107
(Z)-but-2-ene;1-(2-ethyliminoethoxymethyl)-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 143437766
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-[2-[2-methoxyethyl(methyl)amino]ethyl]-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 58869256
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-[3-[methyl(pyridin-2-ylmethyl)amino]propyl]-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 58869273
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(hydroxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 58869228
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(methylaminomethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 143437771
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-[(oxan-4-ylamino)methyl]-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 58869212
N-[3-[3-[(4-fluorophenyl)methyl]-7-hydroxy-6-oxo-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-1-yl]propyl]propanamide
CID 91528872

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane?
The IUPAC name of 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane (CID 159729995) is 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane.
What is the SMILES notation for 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane?
The canonical SMILES for 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane is C.CCCCOCC.CCOCCCOCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O.CN(C)Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(OCOCC[Si](C)(C)C)C3=O.
What is the InChIKey of 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane?
The InChIKey is NBCTWBSRHXYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN3O5Si.C26H35FN4O3Si.C6H14O.CH4/c1-5-35-13-6-14-36-20-23-19-32(18-22-7-9-24(30)10-8-22)26-17-31-28-25(27(23)26)11-12-33(29(28)34)38-21-37-15-16-39(2,3)4;1-29(2)16-20-17-30(15-19-6-8-21(27)9-7-19)23-14-28-25-22(24(20)23)10-11-31(26(25)32)34-18-33-12-13-35(3,4)5;1-3-5-6-7-4-2;/h7-10,17,19H,5-6,11-16,18,20-21H2,1-4H3;6-9,14,17H,10-13,15-16,18H2,1-5H3;3-6H2,1-2H3;1H4.
What are the key properties of 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane?
1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane has a molecular weight of 1174.63 g/mol, XLogP of 12.40, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;1-ethoxybutane;1-(3-ethoxypropoxymethyl)-3-[(4-fluorophenyl)methyl]-7-(2-trimethylsilylethoxymethoxy)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one;methane is sourced from PubChem (CID 159729995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).