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

C24H18ClN5O2 — CID 67244215

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cnn(-c3ccnnc3)c1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c1-32-20-6-7-23-21(10-20)22(15-29(23)13-16-2-4-18(25)5-3-16)24(31)17-11-28-30(14-17)19-8-9-26-27-12-19/h2-12,14-15H,13H2,1H3
InChIKeyYHQFOMHMTXDTIY-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.56
Rot. Bonds6

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

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone (PubChem CID 67244215) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
PubChem CID67244215
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cnn(-c3ccnnc3)c1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c1-32-20-6-7-23-21(10-20)22(15-29(23)13-16-2-4-18(25)5-3-16)24(31)17-11-28-30(14-17)19-8-9-26-27-12-19/h2-12,14-15H,13H2,1H3
InChIKeyYHQFOMHMTXDTIY-UHFFFAOYSA-N
XLogP4.56
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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]-(1,2-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
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
CID 67244328
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-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone (CID 67244215) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone is COc1ccc2c(c1)c(C(=O)c1cnn(-c3ccnnc3)c1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone?
The InChIKey is YHQFOMHMTXDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-32-20-6-7-23-21(10-20)22(15-29(23)13-16-2-4-18(25)5-3-16)24(31)17-11-28-30(14-17)19-8-9-26-27-12-19/h2-12,14-15H,13H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone has a molecular weight of 443.89 g/mol, XLogP of 4.56, 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-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 67244215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).