6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde

C27H21ClN2O5 — CID 175513044

IUPAC6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2Cl)ccc1C=O
InChIInChI=1S/C27H21ClN2O5/c1-33-23-13-16(7-8-17(23)14-31)25-24(28)19(11-12-29-25)20-5-4-6-21(26(20)34-2)22-10-9-18(15-32)27(30-22)35-3/h4-15H,1-3H3
InChIKeyOFOWWJAUBBHSLR-UHFFFAOYSA-N
MW488.93 g/mol
LogP5.78
Rot. Bonds8

About 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde

6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 175513044) has the molecular formula C27H21ClN2O5 and a molecular weight of 488.93 g/mol. Its IUPAC name is 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID175513044
Molecular FormulaC27H21ClN2O5
Molecular Weight488.93 g/mol
Exact Mass488.11
IUPAC Name6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2Cl)ccc1C=O
InChIInChI=1S/C27H21ClN2O5/c1-33-23-13-16(7-8-17(23)14-31)25-24(28)19(11-12-29-25)20-5-4-6-21(26(20)34-2)22-10-9-18(15-32)27(30-22)35-3/h4-15H,1-3H3
InChIKeyOFOWWJAUBBHSLR-UHFFFAOYSA-N
XLogP5.78
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[2-(4-formyl-3-methoxyphenyl)-3-methyl-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
CID 175513100
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
CID 170983450
[4-[3-chloro-4-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-(oxan-4-yl)carbamic acid
CID 174187436
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-(oxan-4-yl)carbamic acid
CID 174187815
tert-butyl N-[[5-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-3-methoxypyrazin-2-yl]methyl]carbamate
CID 175513075
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 174187290
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 170696891
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
CID 175513110
6-[2-chloro-3-[2-chloro-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxyphenyl]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 146207087
6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 164566277
3-chloro-4-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methoxyphenyl]pyridine
CID 170696320
6-[2-chloro-3-[3-chloro-2-[1,1-dioxo-4-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3,5-dihydro-2H-1λ6,4-benzothiazepin-8-yl]-4-pyridinyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 170983448

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde (CID 175513044) is 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde is COc1cc(-c2nccc(-c3cccc(-c4ccc(C=O)c(OC)n4)c3OC)c2Cl)ccc1C=O.
What is the InChIKey of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is OFOWWJAUBBHSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O5/c1-33-23-13-16(7-8-17(23)14-31)25-24(28)19(11-12-29-25)20-5-4-6-21(26(20)34-2)22-10-9-18(15-32)27(30-22)35-3/h4-15H,1-3H3.
What are the key properties of 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde?
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 488.93 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 175513044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).