5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide

C24H25N5O5 — CID 91365995

IUPAC5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide
SMILESCOc1c[nH]c(C(=O)NN)c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)[C@H](C)C3)c1-2
InChIInChI=1S/C24H25N5O5/c1-14-13-28(10-11-29(14)23(32)15-6-4-3-5-7-15)24(33)21(30)17-9-8-16-19(17)18(34-2)12-26-20(16)22(31)27-25/h3-9,12,14,26H,10-11,13,25H2,1-2H3,(H,27,31)/t14-/m1/s1
InChIKeyOZDJYOKFSCUEFD-CQSZACIVSA-N
MW463.49 g/mol
LogP1.29
Rot. Bonds5

About 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide

5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide (PubChem CID 91365995) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide.

Molecular Properties

Compound Name5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide
PubChem CID91365995
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide
SMILESCOc1c[nH]c(C(=O)NN)c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)[C@H](C)C3)c1-2
InChIInChI=1S/C24H25N5O5/c1-14-13-28(10-11-29(14)23(32)15-6-4-3-5-7-15)24(33)21(30)17-9-8-16-19(17)18(34-2)12-26-20(16)22(31)27-25/h3-9,12,14,26H,10-11,13,25H2,1-2H3,(H,27,31)/t14-/m1/s1
InChIKeyOZDJYOKFSCUEFD-CQSZACIVSA-N
XLogP1.29
TPSA137.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-benzoyl-3-methylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 67478536
1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-[7-[3-(hydroxymethyl)pyrazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958865
1-(4-benzoyl-3-methylpiperazin-1-yl)-2-[7-[3-(hydroxymethyl)pyrazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 67478528
1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-[7-[5-(hydroxymethyl)pyrazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958866
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[7-[(Z)-1-ethoxyprop-1-enyl]-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 171556913
3-[1-[3-[2-(4-benzoyl-3-methylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazol-3-yl]propanoic acid
CID 67478551
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 67478564
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxylic acid
CID 18519750
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 70934763
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 5495813
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide?
The IUPAC name of 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide (CID 91365995) is 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide.
What is the SMILES notation for 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide?
The canonical SMILES for 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide is COc1c[nH]c(C(=O)NN)c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)[C@H](C)C3)c1-2.
What is the InChIKey of 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide?
The InChIKey is OZDJYOKFSCUEFD-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14-13-28(10-11-29(14)23(32)15-6-4-3-5-7-15)24(33)21(30)17-9-8-16-19(17)18(34-2)12-26-20(16)22(31)27-25/h3-9,12,14,26H,10-11,13,25H2,1-2H3,(H,27,31)/t14-/m1/s1.
What are the key properties of 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide?
5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide has a molecular weight of 463.49 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-4-methoxy-2H-cyclopenta[c]pyridine-1-carbohydrazide is sourced from PubChem (CID 91365995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).