N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

C25H28N6O2 — CID 5329620

IUPACN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N(C)C)cc4)n[nH]c2-3)CC1
InChIInChI=1S/C25H28N6O2/c1-29(2)17-9-7-16(8-10-17)23-22-24(28-27-23)18-5-4-6-19(21(18)25(22)33)26-20(32)15-31-13-11-30(3)12-14-31/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyCFHPOEFRHPSTGX-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.54
Rot. Bonds5

About N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5329620) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5329620
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N(C)C)cc4)n[nH]c2-3)CC1
InChIInChI=1S/C25H28N6O2/c1-29(2)17-9-7-16(8-10-17)23-22-24(28-27-23)18-5-4-6-19(21(18)25(22)33)26-20(32)15-31-13-11-30(3)12-14-31/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyCFHPOEFRHPSTGX-UHFFFAOYSA-N
XLogP2.54
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 5329620) is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N(C)C)cc4)n[nH]c2-3)CC1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is CFHPOEFRHPSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-29(2)17-9-7-16(8-10-17)23-22-24(28-27-23)18-5-4-6-19(21(18)25(22)33)26-20(32)15-31-13-11-30(3)12-14-31/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5329620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).