[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone

C25H19ClN4O2 — CID 67244328

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccn(-c3ccccn3)n1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4O2/c1-32-19-9-10-23-20(14-19)21(16-29(23)15-17-5-7-18(26)8-6-17)25(31)22-11-13-30(28-22)24-4-2-3-12-27-24/h2-14,16H,15H2,1H3
InChIKeyWTHDQLUNKPMVOL-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.16
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone (PubChem CID 67244328) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
PubChem CID67244328
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccn(-c3ccccn3)n1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4O2/c1-32-19-9-10-23-20(14-19)21(16-29(23)15-17-5-7-18(26)8-6-17)25(31)22-11-13-30(28-22)24-4-2-3-12-27-24/h2-14,16H,15H2,1H3
InChIKeyWTHDQLUNKPMVOL-UHFFFAOYSA-N
XLogP5.16
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone 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

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
CID 67243198
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
CID 67244342
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-yltriazol-4-yl)methanone
CID 67242796
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
CID 67244215
[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 24969442
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
CID 145438430
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
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
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone (CID 67244328) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ccn(-c3ccccn3)n1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone?
The InChIKey is WTHDQLUNKPMVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-32-19-9-10-23-20(14-19)21(16-29(23)15-17-5-7-18(26)8-6-17)25(31)22-11-13-30(28-22)24-4-2-3-12-27-24/h2-14,16H,15H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone has a molecular weight of 442.91 g/mol, XLogP of 5.16, 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-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 67244328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).