3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide

C24H28N4O4 — CID 162662452

IUPAC3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide
SMILESCCOc1cc2c(cc1OCCCO)-c1c(c(Nc3cccc(C(=O)NC)c3)nn1C)C2
InChIInChI=1S/C24H28N4O4/c1-4-31-20-13-16-12-19-22(18(16)14-21(20)32-10-6-9-29)28(3)27-23(19)26-17-8-5-7-15(11-17)24(30)25-2/h5,7-8,11,13-14,29H,4,6,9-10,12H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyUQUUHYVKLVPIDQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.25
Rot. Bonds9

About 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide

3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide (PubChem CID 162662452) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide
PubChem CID162662452
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide
SMILESCCOc1cc2c(cc1OCCCO)-c1c(c(Nc3cccc(C(=O)NC)c3)nn1C)C2
InChIInChI=1S/C24H28N4O4/c1-4-31-20-13-16-12-19-22(18(16)14-21(20)32-10-6-9-29)28(3)27-23(19)26-17-8-5-7-15(11-17)24(30)25-2/h5,7-8,11,13-14,29H,4,6,9-10,12H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyUQUUHYVKLVPIDQ-UHFFFAOYSA-N
XLogP3.25
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
CID 162675783
2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide
CID 155561035
2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide
CID 162649557
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885391
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
N-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39377548
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 157203662
3-ethoxy-N,4-dimethylbenzamide
CID 59678322

Frequently Asked Questions

What is the IUPAC name of 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide (CID 162662452) is 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide is CCOc1cc2c(cc1OCCCO)-c1c(c(Nc3cccc(C(=O)NC)c3)nn1C)C2.
What is the InChIKey of 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide?
The InChIKey is UQUUHYVKLVPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-31-20-13-16-12-19-22(18(16)14-21(20)32-10-6-9-29)28(3)27-23(19)26-17-8-5-7-15(11-17)24(30)25-2/h5,7-8,11,13-14,29H,4,6,9-10,12H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide?
3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide has a molecular weight of 436.51 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 162662452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).