(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine

C29H22F2N2O — CID 135026277

IUPAC(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine
SMILESCOc1ccc([C@@H]2c3cc(-c4cc(F)cc(F)c4)ncc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-15-32-26(19-11-21(30)13-22(31)12-19)14-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3/t28-/m1/s1
InChIKeyFGNQEPXAFIKDJO-MUUNZHRXSA-N
MW452.50 g/mol
LogP6.84
Rot. Bonds3

About (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine

(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine (PubChem CID 135026277) has the molecular formula C29H22F2N2O and a molecular weight of 452.50 g/mol. Its IUPAC name is (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine.

Molecular Properties

Compound Name(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine
PubChem CID135026277
Molecular FormulaC29H22F2N2O
Molecular Weight452.50 g/mol
Exact Mass452.17
IUPAC Name(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine
SMILESCOc1ccc([C@@H]2c3cc(-c4cc(F)cc(F)c4)ncc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-15-32-26(19-11-21(30)13-22(31)12-19)14-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3/t28-/m1/s1
InChIKeyFGNQEPXAFIKDJO-MUUNZHRXSA-N
XLogP6.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 486624
YoYo-1
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7-Methoxy-3-pyridin-4-yl-quinoline
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2-(4-indol-1-ylbutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56640861
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
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[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
(3r,4s)-1-[(2-Methoxyphenyl)methyl]-N,N-Dimethyl-4-(1-Methylindol-3-Yl)pyrrolidin-3-Amine
CID 124037093
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10050311

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine?
The IUPAC name of (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine (CID 135026277) is (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine.
What is the SMILES notation for (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine?
The canonical SMILES for (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine is COc1ccc([C@@H]2c3cc(-c4cc(F)cc(F)c4)ncc3Cn3c2c(C)c2ccccc23)cc1.
What is the InChIKey of (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine?
The InChIKey is FGNQEPXAFIKDJO-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-15-32-26(19-11-21(30)13-22(31)12-19)14-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3/t28-/m1/s1.
What are the key properties of (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine?
(5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine has a molecular weight of 452.50 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,5-difluorophenyl)-5-(4-methoxyphenyl)-6-methyl-5,12-dihydroindolo[1,2-b][2,7]naphthyridine is sourced from PubChem (CID 135026277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).