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

C24H18ClN5O2 — CID 67244342

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cnn(-c3cccnn3)c1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c1-32-19-8-9-22-20(11-19)21(15-29(22)13-16-4-6-18(25)7-5-16)24(31)17-12-27-30(14-17)23-3-2-10-26-28-23/h2-12,14-15H,13H2,1H3
InChIKeyRURBUAACWVBDGY-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.56
Rot. Bonds6

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

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone (PubChem CID 67244342) 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-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
PubChem CID67244342
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1cnn(-c3cccnn3)c1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c1-32-19-8-9-22-20(11-19)21(15-29(22)13-16-4-6-18(25)7-5-16)24(31)17-12-27-30(14-17)23-3-2-10-26-28-23/h2-12,14-15H,13H2,1H3
InChIKeyRURBUAACWVBDGY-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

2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2-ethyl-2H-pyrazol-3-yl)-acetamide
CID 9825026
Ethyl 5-amino-1-[2-(4-chlorophenyl)-6-methoxyquinoline-4-carbonyl]pyrazole-4-carboxylate
CID 164620988
[5-(4-Chlorophenyl)-3-(5-methoxy-1-methylindol-3-yl)-3,4-dihydropyrazol-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 145990590
N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide
CID 57395009
N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1-methylindole-3-carboxamide
CID 57396758
N-(1,5-dimethyl-1H-pyrazol-3-yl)-1-isopropyl-5-methoxy-1H-indole-3-carboxamide
CID 71705985
N-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1-methylindole-3-carboxamide
CID 172436586
[5-Amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(1-methylindol-3-yl)methanone
CID 46951438
5-(benzyloxy)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde
CID 3300710
[1-[(4-Chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243164
[1-[(4-Chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67243567
[1-[(4-Chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67243608

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone (CID 67244342) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone is COc1ccc2c(c1)c(C(=O)c1cnn(-c3cccnn3)c1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone?
The InChIKey is RURBUAACWVBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-32-19-8-9-22-20(11-19)21(15-29(22)13-16-4-6-18(25)7-5-16)24(31)17-12-27-30(14-17)23-3-2-10-26-28-23/h2-12,14-15H,13H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-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-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 67244342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).