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

C25H26ClN7O — CID 11754721

IUPAC1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nc(C)n3nc(-c4ccccc4Cl)c(-c4ccc(C)cc4)c3n2)C1
InChIInChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-29-16(3)33-22(30-24)20(17-11-9-15(2)10-12-17)21(31-33)18-7-5-6-8-19(18)26/h5-12,28H,4,13-14H2,1-3H3,(H2,27,34)
InChIKeyBRXRYMRUVJVTKQ-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.38
Rot. Bonds6

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

1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide (PubChem CID 11754721) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide
PubChem CID11754721
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nc(C)n3nc(-c4ccccc4Cl)c(-c4ccc(C)cc4)c3n2)C1
InChIInChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-29-16(3)33-22(30-24)20(17-11-9-15(2)10-12-17)21(31-33)18-7-5-6-8-19(18)26/h5-12,28H,4,13-14H2,1-3H3,(H2,27,34)
InChIKeyBRXRYMRUVJVTKQ-UHFFFAOYSA-N
XLogP3.38
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide?
The IUPAC name of 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide (CID 11754721) is 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide is CCNC1(C(N)=O)CN(c2nc(C)n3nc(-c4ccccc4Cl)c(-c4ccc(C)cc4)c3n2)C1.
What is the InChIKey of 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide?
The InChIKey is BRXRYMRUVJVTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-29-16(3)33-22(30-24)20(17-11-9-15(2)10-12-17)21(31-33)18-7-5-6-8-19(18)26/h5-12,28H,4,13-14H2,1-3H3,(H2,27,34).
What are the key properties of 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide?
1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-chlorophenyl)-4-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-3-(ethylamino)azetidine-3-carboxamide is sourced from PubChem (CID 11754721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).