5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

C32H24Cl2F2N2O6 — CID 135360954

IUPAC5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(O[C@@H]2c3cccc(-c4cccc5c4C[C@H](F)[C@@H]5Oc4nc(OC)c(C=O)cc4Cl)c3C[C@@H]2F)c(Cl)cc1C=O
InChIInChI=1S/C32H24Cl2F2N2O6/c1-41-29-15(13-39)9-23(33)31(37-29)43-27-19-7-3-5-17(21(19)11-25(27)35)18-6-4-8-20-22(18)12-26(36)28(20)44-32-24(34)10-16(14-40)30(38-32)42-2/h3-10,13-14,25-28H,11-12H2,1-2H3/t25-,26-,27+,28+/m0/s1
InChIKeyZEQPHZMJURGDLX-YVHASNINSA-N
MW641.45 g/mol
LogP7.12
Rot. Bonds9

About 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 135360954) has the molecular formula C32H24Cl2F2N2O6 and a molecular weight of 641.45 g/mol. Its IUPAC name is 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
PubChem CID135360954
Molecular FormulaC32H24Cl2F2N2O6
Molecular Weight641.45 g/mol
Exact Mass640.10
IUPAC Name5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(O[C@@H]2c3cccc(-c4cccc5c4C[C@H](F)[C@@H]5Oc4nc(OC)c(C=O)cc4Cl)c3C[C@@H]2F)c(Cl)cc1C=O
InChIInChI=1S/C32H24Cl2F2N2O6/c1-41-29-15(13-39)9-23(33)31(37-29)43-27-19-7-3-5-17(21(19)11-25(27)35)18-6-4-8-20-22(18)12-26(36)28(20)44-32-24(34)10-16(14-40)30(38-32)42-2/h3-10,13-14,25-28H,11-12H2,1-2H3/t25-,26-,27+,28+/m0/s1
InChIKeyZEQPHZMJURGDLX-YVHASNINSA-N
XLogP7.12
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.45
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde with MolForge

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Related Compounds

6-[[(1R,2R)-2-fluoro-4-[(1R,2R)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360851
5-chloro-6-[[(1R,2R)-4-[(1R,2R)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360974
6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361085
6-[[3-[3-[[5-Formyl-6-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135361349
6-[[(1S)-4-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 150984964
6-[[4-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 150984965
6-[[(1S)-4-(2,3-dichloro-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 170983488
6-[[4-(2,3-dichloro-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 174187307
6-[[(1S)-4-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 175512949
6-[[4-[(2S)-2-(3-chloro-4-pyridinyl)-5-formyl-6-methoxy-1H-pyridin-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 175512989
6-[[(1S)-4-[3-chloro-4-(6-methoxy-5-methyl-2-pyridinyl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 175513098
5-Chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135360706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (CID 135360954) is 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(O[C@@H]2c3cccc(-c4cccc5c4C[C@H](F)[C@@H]5Oc4nc(OC)c(C=O)cc4Cl)c3C[C@@H]2F)c(Cl)cc1C=O.
What is the InChIKey of 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is ZEQPHZMJURGDLX-YVHASNINSA-N. The full InChI is InChI=1S/C32H24Cl2F2N2O6/c1-41-29-15(13-39)9-23(33)31(37-29)43-27-19-7-3-5-17(21(19)11-25(27)35)18-6-4-8-20-22(18)12-26(36)28(20)44-32-24(34)10-16(14-40)30(38-32)42-2/h3-10,13-14,25-28H,11-12H2,1-2H3/t25-,26-,27+,28+/m0/s1.
What are the key properties of 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?
5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 641.45 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(1R,2S)-4-[(1R,2S)-1-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxy]-2-fluoro-2,3-dihydro-1H-inden-4-yl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 135360954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).