6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one

C20H24N4O3 — CID 93068578

IUPAC6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
SMILESO=C([C@H]1CCCO1)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O3/c25-19-10-9-18(21-24(19)16-6-2-1-3-7-16)22-11-5-12-23(14-13-22)20(26)17-8-4-15-27-17/h1-3,6-7,9-10,17H,4-5,8,11-15H2/t17-/m1/s1
InChIKeyMQCRYAJSDRGFSA-QGZVFWFLSA-N
MW368.44 g/mol
LogP1.45
Rot. Bonds3

About 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one

6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one (PubChem CID 93068578) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
PubChem CID93068578
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
SMILESO=C([C@H]1CCCO1)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O3/c25-19-10-9-18(21-24(19)16-6-2-1-3-7-16)22-11-5-12-23(14-13-22)20(26)17-8-4-15-27-17/h1-3,6-7,9-10,17H,4-5,8,11-15H2/t17-/m1/s1
InChIKeyMQCRYAJSDRGFSA-QGZVFWFLSA-N
XLogP1.45
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one with MolForge

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Related Compounds

6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954933
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one (CID 93068578) is 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one is O=C([C@H]1CCCO1)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is MQCRYAJSDRGFSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19-10-9-18(21-24(19)16-6-2-1-3-7-16)22-11-5-12-23(14-13-22)20(26)17-8-4-15-27-17/h1-3,6-7,9-10,17H,4-5,8,11-15H2/t17-/m1/s1.
What are the key properties of 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one?
6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 368.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 93068578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).