1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide

C24H23Cl2N7O — CID 175245228

IUPAC1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide
SMILESNC(=O)C1CN(NCCCc2ncnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C24H23Cl2N7O/c25-17-9-7-15(8-10-17)21-22(18-4-1-2-5-19(18)26)31-33-20(28-14-29-24(21)33)6-3-11-30-32-12-16(13-32)23(27)34/h1-2,4-5,7-10,14,16,30H,3,6,11-13H2,(H2,27,34)
InChIKeyCESKREBZTFMRKU-UHFFFAOYSA-N
MW496.40 g/mol
LogP3.62
Rot. Bonds8

About 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide

1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide (PubChem CID 175245228) has the molecular formula C24H23Cl2N7O and a molecular weight of 496.40 g/mol. Its IUPAC name is 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide
PubChem CID175245228
Molecular FormulaC24H23Cl2N7O
Molecular Weight496.40 g/mol
Exact Mass495.13
IUPAC Name1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide
SMILESNC(=O)C1CN(NCCCc2ncnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C24H23Cl2N7O/c25-17-9-7-15(8-10-17)21-22(18-4-1-2-5-19(18)26)31-33-20(28-14-29-24(21)33)6-3-11-30-32-12-16(13-32)23(27)34/h1-2,4-5,7-10,14,16,30H,3,6,11-13H2,(H2,27,34)
InChIKeyCESKREBZTFMRKU-UHFFFAOYSA-N
XLogP3.62
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxylic acid
CID 69212529
1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-4-pyrrolidin-1-ylpiperidine-4-carboxamide
CID 11226423
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxylic acid
CID 21083691
3-[[7-[3-(2-amino-2-oxoethyl)azetidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]propanamide
CID 169148025
3-[[7-[3-(2-amino-2-oxoethyl)azetidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-N-methylpropanamide
CID 169148032
2-[(3R)-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-[dimethylphosphorylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-yl]acetamide
CID 169148069
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-ethoxypiperidine-4-carboxamide
CID 169148084
3-[[7-[(3R)-3-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]propanamide
CID 169147952
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 11993502
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 21083721
1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69212692

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide?
The IUPAC name of 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide (CID 175245228) is 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide.
What is the SMILES notation for 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide?
The canonical SMILES for 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide is NC(=O)C1CN(NCCCc2ncnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1.
What is the InChIKey of 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide?
The InChIKey is CESKREBZTFMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O/c25-17-9-7-15(8-10-17)21-22(18-4-1-2-5-19(18)26)31-33-20(28-14-29-24(21)33)6-3-11-30-32-12-16(13-32)23(27)34/h1-2,4-5,7-10,14,16,30H,3,6,11-13H2,(H2,27,34).
What are the key properties of 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide?
1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide has a molecular weight of 496.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide is sourced from PubChem (CID 175245228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).