tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane

C24H28FN3O3 — CID 177047528

IUPACtert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane
SMILESCC.COc1ccc2ccc(-c3cc4c(n3C(=O)OC(C)(C)C)C=C(F)CC4)nc2n1
InChIInChI=1S/C22H22FN3O3.C2H6/c1-22(2,3)29-21(27)26-17-12-15(23)8-5-14(17)11-18(26)16-9-6-13-7-10-19(28-4)25-20(13)24-16;1-2/h6-7,9-12H,5,8H2,1-4H3;1-2H3
InChIKeyNGGAKIQGEGTCGB-UHFFFAOYSA-N
MW425.50 g/mol
LogP6.17
Rot. Bonds2

About tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane

tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane (PubChem CID 177047528) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane
PubChem CID177047528
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Nametert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane
SMILESCC.COc1ccc2ccc(-c3cc4c(n3C(=O)OC(C)(C)C)C=C(F)CC4)nc2n1
InChIInChI=1S/C22H22FN3O3.C2H6/c1-22(2,3)29-21(27)26-17-12-15(23)8-5-14(17)11-18(26)16-9-6-13-7-10-19(28-4)25-20(13)24-16;1-2/h6-7,9-12H,5,8H2,1-4H3;1-2H3
InChIKeyNGGAKIQGEGTCGB-UHFFFAOYSA-N
XLogP6.17
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
CID 144820320
tert-butyl 3-hydroxy-3-(2-methoxyquinolin-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171957302
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
CID 15169099
tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate
CID 68554365
tert-butyl 5-[(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 118622788
tert-butyl 2-(2-chloropyrimidin-4-yl)-6-methylindole-1-carboxylate
CID 24901814
[2-methoxycarbonyl-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 175220618
tert-butyl 6-[[6-(4-fluorophenyl)-4-(1-methoxy-1-oxopropan-2-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 176893798
tert-butyl 2-chloro-5-fluoroindole-1-carboxylate
CID 125116334

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane?
The IUPAC name of tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane (CID 177047528) is tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane is CC.COc1ccc2ccc(-c3cc4c(n3C(=O)OC(C)(C)C)C=C(F)CC4)nc2n1.
What is the InChIKey of tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane?
The InChIKey is NGGAKIQGEGTCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3.C2H6/c1-22(2,3)29-21(27)26-17-12-15(23)8-5-14(17)11-18(26)16-9-6-13-7-10-19(28-4)25-20(13)24-16;1-2/h6-7,9-12H,5,8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane?
tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane has a molecular weight of 425.50 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluoro-2-(7-methoxy-1,8-naphthyridin-2-yl)-4,5-dihydroindole-1-carboxylate;ethane is sourced from PubChem (CID 177047528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).