[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone

C20H19N7O — CID 90539554

IUPAC[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H19N7O/c28-20(16-13-22-17-4-2-1-3-15(16)17)26-11-9-25(10-12-26)18-5-6-19(24-23-18)27-8-7-21-14-27/h1-8,13-14,22H,9-12H2
InChIKeyVOJRWCYVRJZHBJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.11
Rot. Bonds3

About [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone

[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 90539554) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID90539554
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H19N7O/c28-20(16-13-22-17-4-2-1-3-15(16)17)26-11-9-25(10-12-26)18-5-6-19(24-23-18)27-8-7-21-14-27/h1-8,13-14,22H,9-12H2
InChIKeyVOJRWCYVRJZHBJ-UHFFFAOYSA-N
XLogP2.11
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113928
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 90539541
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90539348
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
6,8-dibromo-3-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
CID 90539577
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017

Frequently Asked Questions

What is the IUPAC name of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone (CID 90539554) is [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is VOJRWCYVRJZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20(16-13-22-17-4-2-1-3-15(16)17)26-11-9-25(10-12-26)18-5-6-19(24-23-18)27-8-7-21-14-27/h1-8,13-14,22H,9-12H2.
What are the key properties of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 373.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 90539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).