2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone

C27H35N7O2 — CID 122337048

IUPAC2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1
InChIInChI=1S/C27H35N7O2/c35-27(21-34-10-9-22-4-1-2-6-24(22)34)33-17-15-32(16-18-33)26-8-7-25(28-29-26)31-13-11-30(12-14-31)20-23-5-3-19-36-23/h1-2,4,6-10,23H,3,5,11-21H2
InChIKeyMTZBELYZAWKSRK-UHFFFAOYSA-N
MW489.62 g/mol
LogP2.08
Rot. Bonds6

About 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone

2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122337048) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122337048
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1
InChIInChI=1S/C27H35N7O2/c35-27(21-34-10-9-22-4-1-2-6-24(22)34)33-17-15-32(16-18-33)26-8-7-25(28-29-26)31-13-11-30(12-14-31)20-23-5-3-19-36-23/h1-2,4,6-10,23H,3,5,11-21H2
InChIKeyMTZBELYZAWKSRK-UHFFFAOYSA-N
XLogP2.08
TPSA69.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121054041
2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122337007
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
(2-bromophenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054063
N-(2-methylphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336906
N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884
3-(3-chlorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122337025
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337167
3-(3-methylthiophen-2-yl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122337089
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122337048) is 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCN(c2ccc(N3CCN(CC4CCCO4)CC3)nn2)CC1.
What is the InChIKey of 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is MTZBELYZAWKSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c35-27(21-34-10-9-22-4-1-2-6-24(22)34)33-17-15-32(16-18-33)26-8-7-25(28-29-26)31-13-11-30(12-14-31)20-23-5-3-19-36-23/h1-2,4,6-10,23H,3,5,11-21H2.
What are the key properties of 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone?
2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 489.62 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122337048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).