1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C24H23N5O2 — CID 121060220

IUPAC1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-8-6-17(7-9-19)21-10-11-23(27-26-21)28-12-14-29(15-13-28)24(30)22-16-18-4-2-3-5-20(18)25-22/h2-11,16,25H,12-15H2,1H3
InChIKeyDRJNCGLPHXLEMV-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.60
Rot. Bonds4

About 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121060220) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121060220
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-8-6-17(7-9-19)21-10-11-23(27-26-21)28-12-14-29(15-13-28)24(30)22-16-18-4-2-3-5-20(18)25-22/h2-11,16,25H,12-15H2,1H3
InChIKeyDRJNCGLPHXLEMV-UHFFFAOYSA-N
XLogP3.60
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060205
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137251142
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 71431492
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121060220) is 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nn2)cc1.
What is the InChIKey of 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DRJNCGLPHXLEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-8-6-17(7-9-19)21-10-11-23(27-26-21)28-12-14-29(15-13-28)24(30)22-16-18-4-2-3-5-20(18)25-22/h2-11,16,25H,12-15H2,1H3.
What are the key properties of 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121060220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).