2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol

C24H23F2N3O2 — CID 44817836

IUPAC2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccc(F)cc24)CCN(CCO)C3)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-31-22-5-2-14(10-18(22)26)11-20-24-23(17-12-15(25)3-4-19(17)28-24)16-6-7-29(8-9-30)13-21(16)27-20/h2-5,10,12,28,30H,6-9,11,13H2,1H3
InChIKeyCORWOOSEDSGZHG-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.94
Rot. Bonds5

About 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol

2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol (PubChem CID 44817836) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol
PubChem CID44817836
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccc(F)cc24)CCN(CCO)C3)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-31-22-5-2-14(10-18(22)26)11-20-24-23(17-12-15(25)3-4-19(17)28-24)16-6-7-29(8-9-30)13-21(16)27-20/h2-5,10,12,28,30H,6-9,11,13H2,1H3
InChIKeyCORWOOSEDSGZHG-UHFFFAOYSA-N
XLogP3.94
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Palazestrant
CID 135351887
(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
CID 121410578
3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoro-propan-1-ol
CID 121410551
(1R,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410553
(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-2-[(3-methyloxetan-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410563
(1R,3R)-1-(4-(2-(3-(difluoromethyl)azetidin-1-yl)ethoxy)-2,6-difluorophenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 121410568
(1R,3R)-1-[2,6-difluoro-4-[2-(3-methylazetidin-1-yl)ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410572
CID 121410624
CID 121410624
(1R,3R)-1-[2,6-difluoro-4-(1-prop-2-ynylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410627
(2R)-3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol
CID 121410628
(1R,3R)-1-[2,6-difluoro-4-[(2S)-2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410656
CID 121410669
CID 121410669

Frequently Asked Questions

What is the IUPAC name of 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol?
The IUPAC name of 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol (CID 44817836) is 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol.
What is the SMILES notation for 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol?
The canonical SMILES for 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol is COc1ccc(Cc2nc3c(c4c2[nH]c2ccc(F)cc24)CCN(CCO)C3)cc1F.
What is the InChIKey of 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol?
The InChIKey is CORWOOSEDSGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-31-22-5-2-14(10-18(22)26)11-20-24-23(17-12-15(25)3-4-19(17)28-24)16-6-7-29(8-9-30)13-21(16)27-20/h2-5,10,12,28,30H,6-9,11,13H2,1H3.
What are the key properties of 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol?
2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol has a molecular weight of 423.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-fluoro-6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanol is sourced from PubChem (CID 44817836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).