1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol

C29H22ClFN4O — CID 134188905

IUPAC1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol
SMILESCC(O)N1CCc2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)ccc21
InChIInChI=1S/C29H22ClFN4O/c1-17(36)35-10-8-19-11-18(4-7-28(19)35)20-12-21(16-32-15-20)24-14-27(25-13-22(30)5-6-26(25)31)34-29-23(24)3-2-9-33-29/h2-7,9,11-17,36H,8,10H2,1H3
InChIKeyOEMLWPKNPNKGPF-UHFFFAOYSA-N
MW496.97 g/mol
LogP6.52
Rot. Bonds4

About 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol

1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol (PubChem CID 134188905) has the molecular formula C29H22ClFN4O and a molecular weight of 496.97 g/mol. Its IUPAC name is 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol.

Molecular Properties

Compound Name1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol
PubChem CID134188905
Molecular FormulaC29H22ClFN4O
Molecular Weight496.97 g/mol
Exact Mass496.15
IUPAC Name1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol
SMILESCC(O)N1CCc2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)ccc21
InChIInChI=1S/C29H22ClFN4O/c1-17(36)35-10-8-19-11-18(4-7-28(19)35)20-12-21(16-32-15-20)24-14-27(25-13-22(30)5-6-26(25)31)34-29-23(24)3-2-9-33-29/h2-7,9,11-17,36H,8,10H2,1H3
InChIKeyOEMLWPKNPNKGPF-UHFFFAOYSA-N
XLogP6.52
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.97
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol with MolForge

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Related Compounds

1-[(3-Chlorophenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168295497
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CID 72195337
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566407
5,7-Difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566542
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
7-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370344
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
1-(4-Chloro-2,6-dimethyl-phenyl)-5-(1-methoxymethyl-propyl)-7-methyl-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
CID 11235868
5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249663
3-[1-(2-Chloro-4-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-2-methyl-1,8-naphthyridine;2,2,2-trifluoroacetic acid
CID 44529966
(E)-N-ethoxy-1-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanimine
CID 122179438
7-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline
CID 155542017

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol?
The IUPAC name of 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol (CID 134188905) is 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol.
What is the SMILES notation for 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol?
The canonical SMILES for 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol is CC(O)N1CCc2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)ccc21.
What is the InChIKey of 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol?
The InChIKey is OEMLWPKNPNKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClFN4O/c1-17(36)35-10-8-19-11-18(4-7-28(19)35)20-12-21(16-32-15-20)24-14-27(25-13-22(30)5-6-26(25)31)34-29-23(24)3-2-9-33-29/h2-7,9,11-17,36H,8,10H2,1H3.
What are the key properties of 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol?
1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol has a molecular weight of 496.97 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,3-dihydroindol-1-yl]ethanol is sourced from PubChem (CID 134188905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).