[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone

C26H20ClN3O2S — CID 91469867

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)s1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H20ClN3O2S/c1-16-24(25(31)26-29-14-23(33-26)18-9-11-28-12-10-18)21-13-20(32-2)7-8-22(21)30(16)15-17-3-5-19(27)6-4-17/h3-14H,15H2,1-2H3
InChIKeyQPRICVYGJPZIDR-UHFFFAOYSA-N
MW473.99 g/mol
LogP6.41
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone (PubChem CID 91469867) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone
PubChem CID91469867
Molecular FormulaC26H20ClN3O2S
Molecular Weight473.99 g/mol
Exact Mass473.10
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)s1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H20ClN3O2S/c1-16-24(25(31)26-29-14-23(33-26)18-9-11-28-12-10-18)21-13-20(32-2)7-8-22(21)30(16)15-17-3-5-19(27)6-4-17/h3-14H,15H2,1-2H3
InChIKeyQPRICVYGJPZIDR-UHFFFAOYSA-N
XLogP6.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243848
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67246558
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrazin-2-yl-1,3-oxazol-4-yl)methanone
CID 67245215
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone
CID 67244092
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243829
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone
CID 67243319
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone (CID 91469867) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)s1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is QPRICVYGJPZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c1-16-24(25(31)26-29-14-23(33-26)18-9-11-28-12-10-18)21-13-20(32-2)7-8-22(21)30(16)15-17-3-5-19(27)6-4-17/h3-14H,15H2,1-2H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 473.99 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91469867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).