2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C24H25N5O3 — CID 5309260

IUPAC2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1
InChIInChI=1S/C24H25N5O3/c1-16-7-8-21-17(13-16)23-18(24(31)32-21)14-25-29(23)15-22(30)26-19-5-3-4-6-20(19)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,30)
InChIKeyMFMOPHUIDZZWJE-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.84
Rot. Bonds4

About 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 5309260) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID5309260
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1
InChIInChI=1S/C24H25N5O3/c1-16-7-8-21-17(13-16)23-18(24(31)32-21)14-25-29(23)15-22(30)26-19-5-3-4-6-20(19)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,30)
InChIKeyMFMOPHUIDZZWJE-UHFFFAOYSA-N
XLogP2.84
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 5309260) is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1.
What is the InChIKey of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MFMOPHUIDZZWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-7-8-21-17(13-16)23-18(24(31)32-21)14-25-29(23)15-22(30)26-19-5-3-4-6-20(19)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,30).
What are the key properties of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 5309260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).