ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide

C15H26N4O2 — CID 170601788

IUPACethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide
SMILESCC.CN1Cc2cc(C(N)=O)nn2CC2(CCOCC2)C1
InChIInChI=1S/C13H20N4O2.C2H6/c1-16-7-10-6-11(12(14)18)15-17(10)9-13(8-16)2-4-19-5-3-13;1-2/h6H,2-5,7-9H2,1H3,(H2,14,18);1-2H3
InChIKeyJIHVKHWNWAUVFV-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.25
Rot. Bonds1

About ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide

ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide (PubChem CID 170601788) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide.

Molecular Properties

Compound Nameethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide
PubChem CID170601788
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide
SMILESCC.CN1Cc2cc(C(N)=O)nn2CC2(CCOCC2)C1
InChIInChI=1S/C13H20N4O2.C2H6/c1-16-7-10-6-11(12(14)18)15-17(10)9-13(8-16)2-4-19-5-3-13;1-2/h6H,2-5,7-9H2,1H3,(H2,14,18);1-2H3
InChIKeyJIHVKHWNWAUVFV-UHFFFAOYSA-N
XLogP1.25
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide?
The IUPAC name of ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide (CID 170601788) is ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide.
What is the SMILES notation for ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide?
The canonical SMILES for ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide is CC.CN1Cc2cc(C(N)=O)nn2CC2(CCOCC2)C1.
What is the InChIKey of ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide?
The InChIKey is JIHVKHWNWAUVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.C2H6/c1-16-7-10-6-11(12(14)18)15-17(10)9-13(8-16)2-4-19-5-3-13;1-2/h6H,2-5,7-9H2,1H3,(H2,14,18);1-2H3.
What are the key properties of ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide?
ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,4'-oxane]-2-carboxamide is sourced from PubChem (CID 170601788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).