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

C25H20ClN5O2 — CID 67243319

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cn(-c3cccnc3)nn1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN5O2/c1-16-24(25(32)22-15-31(29-28-22)19-4-3-11-27-13-19)21-12-20(33-2)9-10-23(21)30(16)14-17-5-7-18(26)8-6-17/h3-13,15H,14H2,1-2H3
InChIKeyBKPWRLWHSICFGB-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.87
Rot. Bonds6

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

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone (PubChem CID 67243319) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone
PubChem CID67243319
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cn(-c3cccnc3)nn1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN5O2/c1-16-24(25(32)22-15-31(29-28-22)19-4-3-11-27-13-19)21-12-20(33-2)9-10-23(21)30(16)14-17-5-7-18(26)8-6-17/h3-13,15H,14H2,1-2H3
InChIKeyBKPWRLWHSICFGB-UHFFFAOYSA-N
XLogP4.87
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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-methoxyindol-3-yl]-(1-pyridazin-4-yltriazol-4-yl)methanone
CID 67242796
[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-pyrimidin-4-yl-1,3-oxazol-5-yl)methanone
CID 67243848
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-thiazol-2-yl)methanone
CID 91469867
[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]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67246558
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone
CID 67244092
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-pyridin-3-yl-1,3-oxazol-5-yl)methanone
CID 67242807
1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methanone;1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methanone
CID 69022169

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone (CID 67243319) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone is COc1ccc2c(c1)c(C(=O)c1cn(-c3cccnc3)nn1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone?
The InChIKey is BKPWRLWHSICFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-16-24(25(32)22-15-31(29-28-22)19-4-3-11-27-13-19)21-12-20(33-2)9-10-23(21)30(16)14-17-5-7-18(26)8-6-17/h3-13,15H,14H2,1-2H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone has a molecular weight of 457.92 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(1-pyridin-3-yltriazol-4-yl)methanone is sourced from PubChem (CID 67243319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).