[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C16H19N3O2S — CID 95100629

IUPAC[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C16H19N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h2,5,9-10,14H,1,3-4,6-8,11H2/t14-/m1/s1
InChIKeyZFYNHINLEUQPFJ-CQSZACIVSA-N
MW317.41 g/mol
LogP2.52
Rot. Bonds2

About [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 95100629) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID95100629
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C16H19N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h2,5,9-10,14H,1,3-4,6-8,11H2/t14-/m1/s1
InChIKeyZFYNHINLEUQPFJ-CQSZACIVSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53165227
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092
methyl 3-[(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)amino]thiophene-2-carboxylate
CID 53165231
5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95127788
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
CID 110646755
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
N-(oxolan-2-ylmethyl)-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53165199
(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807296
(2S)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807295
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 110219221
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 95100629) is [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is O=C([C@H]1CCCO1)N1CCCn2nc(-c3cccs3)cc2C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is ZFYNHINLEUQPFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h2,5,9-10,14H,1,3-4,6-8,11H2/t14-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 317.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 95100629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).