[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C19H23N5O2 — CID 7178110

IUPAC[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(16-7-4-14-26-16)24-12-10-23(11-13-24)18-9-8-17(21-22-18)20-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,21)/t16-/m0/s1
InChIKeyFQOQZHJBJXAUTJ-INIZCTEOSA-N
MW353.43 g/mol
LogP2.05
Rot. Bonds4

About [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 7178110) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID7178110
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(16-7-4-14-26-16)24-12-10-23(11-13-24)18-9-8-17(21-22-18)20-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,21)/t16-/m0/s1
InChIKeyFQOQZHJBJXAUTJ-INIZCTEOSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
N-(6-pyrrolidin-1-ylpyridazin-3-yl)oxolane-2-carboxamide
CID 113038690
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347640
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 7178105
6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 93068578

Frequently Asked Questions

What is the IUPAC name of [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 7178110) is [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1.
What is the InChIKey of [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is FQOQZHJBJXAUTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-19(16-7-4-14-26-16)24-12-10-23(11-13-24)18-9-8-17(21-22-18)20-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,21)/t16-/m0/s1.
What are the key properties of [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 7178110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).