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

C24H31FN6O4 — CID 46049795

IUPAC5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H31FN6O4/c1-17(22(32)26-7-10-29-11-13-35-14-12-29)27-23(33)20-15-21-24(34)30(8-2-9-31(21)28-20)16-18-3-5-19(25)6-4-18/h3-6,15,17H,2,7-14,16H2,1H3,(H,26,32)(H,27,33)
InChIKeyIDVGBGSSCWROML-UHFFFAOYSA-N
MW486.55 g/mol
LogP0.63
Rot. Bonds8

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

5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049795) has the molecular formula C24H31FN6O4 and a molecular weight of 486.55 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID46049795
Molecular FormulaC24H31FN6O4
Molecular Weight486.55 g/mol
Exact Mass486.24
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H31FN6O4/c1-17(22(32)26-7-10-29-11-13-35-14-12-29)27-23(33)20-15-21-24(34)30(8-2-9-31(21)28-20)16-18-3-5-19(25)6-4-18/h3-6,15,17H,2,7-14,16H2,1H3,(H,26,32)(H,27,33)
InChIKeyIDVGBGSSCWROML-UHFFFAOYSA-N
XLogP0.63
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049797
5-[(4-fluorophenyl)methyl]-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332100
5-[(2-methylphenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46050037
5-[(4-methylphenyl)methyl]-4-oxo-N-[(2R)-1-oxo-1-(2-piperidin-1-ylethylamino)propan-2-yl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 92986873
N-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 42854942
N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-5-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049665
5-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797887
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049555
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-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332492
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049995
N-butan-2-yl-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797863

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049795) is 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is IDVGBGSSCWROML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O4/c1-17(22(32)26-7-10-29-11-13-35-14-12-29)27-23(33)20-15-21-24(34)30(8-2-9-31(21)28-20)16-18-3-5-19(25)6-4-18/h3-6,15,17H,2,7-14,16H2,1H3,(H,26,32)(H,27,33).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).