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

C25H26ClN7O — CID 69212692

IUPAC1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nc(C)nc3c(-c4ccc(C)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-30-16(3)29-22-20(17-11-9-15(2)10-12-17)21(31-33(22)24)18-7-5-6-8-19(18)26/h5-12,28H,4,13-14H2,1-3H3,(H2,27,34)
InChIKeyAAFLLBYKMOHMIU-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.38
Rot. Bonds6

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

1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide (PubChem CID 69212692) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
PubChem CID69212692
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2nc(C)nc3c(-c4ccc(C)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-30-16(3)29-22-20(17-11-9-15(2)10-12-17)21(31-33(22)24)18-7-5-6-8-19(18)26/h5-12,28H,4,13-14H2,1-3H3,(H2,27,34)
InChIKeyAAFLLBYKMOHMIU-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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Related Compounds

1-[7-(2-chlorophenyl)-8-(2,4-dichlorophenyl)-2-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69211393
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
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-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxylic acid
CID 21083691
1-[7,8-bis(4-chlorophenyl)-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 58772845
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-ethoxypiperidine-4-carboxamide
CID 169148084
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
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69435363
7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-methyl-4-[(1S,4S)-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a][1,3,5]triazine
CID 69208451
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-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyrimidin-7-yl]-4-propan-2-yloxypiperidine-4-carboxamide
CID 169147961

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide?
The IUPAC name of 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) is 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide is CCNC1(C(N)=O)CN(c2nc(C)nc3c(-c4ccc(C)cc4)c(-c4ccccc4Cl)nn23)C1.
What is the InChIKey of 1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide?
The InChIKey is AAFLLBYKMOHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-4-28-25(23(27)34)13-32(14-25)24-30-16(3)29-22-20(17-11-9-15(2)10-12-17)21(31-33(22)24)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)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide?
1-[7-(2-chlorophenyl)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-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)-2-methyl-8-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-3-(ethylamino)azetidine-3-carboxamide is sourced from PubChem (CID 69212692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).