[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C28H28N4O3 — CID 16578750

IUPAC[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cnn(-c5ccccc5)c4)c2c1)CCCC3
InChIInChI=1S/C28H28N4O3/c1-19-12-13-25-23(14-19)27(22-10-6-7-11-24(22)30-25)28(34)35-18-26(33)31(2)16-20-15-29-32(17-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,17H,6-7,10-11,16,18H2,1-2H3
InChIKeyLRHZTLXAKQLKHD-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.42
Rot. Bonds6

About [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 16578750) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID16578750
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cnn(-c5ccccc5)c4)c2c1)CCCC3
InChIInChI=1S/C28H28N4O3/c1-19-12-13-25-23(14-19)27(22-10-6-7-11-24(22)30-25)28(34)35-18-26(33)31(2)16-20-15-29-32(17-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,17H,6-7,10-11,16,18H2,1-2H3
InChIKeyLRHZTLXAKQLKHD-UHFFFAOYSA-N
XLogP4.42
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 30655719
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 18127668
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789225
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889975
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 16578750) is [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is Cc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cnn(-c5ccccc5)c4)c2c1)CCCC3.
What is the InChIKey of [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is LRHZTLXAKQLKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-12-13-25-23(14-19)27(22-10-6-7-11-24(22)30-25)28(34)35-18-26(33)31(2)16-20-15-29-32(17-20)21-8-4-3-5-9-21/h3-5,8-9,12-15,17H,6-7,10-11,16,18H2,1-2H3.
What are the key properties of [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 468.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 16578750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).