5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C22H27N5O4 — CID 46049575

IUPAC5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C22H27N5O4/c1-24(16-20(28)25-10-12-31-13-11-25)21(29)18-14-19-22(30)26(8-5-9-27(19)23-18)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15-16H2,1H3
InChIKeyIFNBTAFJTNSVAT-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.86
Rot. Bonds5

About 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049575) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID46049575
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C22H27N5O4/c1-24(16-20(28)25-10-12-31-13-11-25)21(29)18-14-19-22(30)26(8-5-9-27(19)23-18)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15-16H2,1H3
InChIKeyIFNBTAFJTNSVAT-UHFFFAOYSA-N
XLogP0.86
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049575) is 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CN(CC(=O)N1CCOCC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is IFNBTAFJTNSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-24(16-20(28)25-10-12-31-13-11-25)21(29)18-14-19-22(30)26(8-5-9-27(19)23-18)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15-16H2,1H3.
What are the key properties of 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).