5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C26H35N5O3 — CID 46049611

IUPAC5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)CN(CCC(=O)NCC1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C26H35N5O3/c1-19(2)17-30(14-11-24(32)27-16-20-9-10-20)25(33)22-15-23-26(34)29(12-6-13-31(23)28-22)18-21-7-4-3-5-8-21/h3-5,7-8,15,19-20H,6,9-14,16-18H2,1-2H3,(H,27,32)
InChIKeyGLFMFLOBRDQWIR-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.94
Rot. Bonds10

About 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049611) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID46049611
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)CN(CCC(=O)NCC1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C26H35N5O3/c1-19(2)17-30(14-11-24(32)27-16-20-9-10-20)25(33)22-15-23-26(34)29(12-6-13-31(23)28-22)18-21-7-4-3-5-8-21/h3-5,7-8,15,19-20H,6,9-14,16-18H2,1-2H3,(H,27,32)
InChIKeyGLFMFLOBRDQWIR-UHFFFAOYSA-N
XLogP2.94
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-(2-methylpropyl)-4-oxo-N-[3-oxo-3-(2-phenylethylamino)propyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049920
5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049936
5-benzyl-N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332291
3-[(5-benzyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-butan-2-ylamino]propanoic acid
CID 42854013
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049976
5-benzyl-N-[(2R)-butan-2-yl]-4-oxo-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332452
5-benzyl-N-cyclopropyl-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049949
N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049701
5-benzyl-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049845
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
N-ethyl-N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46050024
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049754

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049611) is 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)CN(CCC(=O)NCC1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is GLFMFLOBRDQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-19(2)17-30(14-11-24(32)27-16-20-9-10-20)25(33)22-15-23-26(34)29(12-6-13-31(23)28-22)18-21-7-4-3-5-8-21/h3-5,7-8,15,19-20H,6,9-14,16-18H2,1-2H3,(H,27,32).
What are the key properties of 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).