N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

C17H17F2N7O — CID 90557830

IUPACN-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NCc4ccc(F)cc4F)C3)ncnc21
InChIInChI=1S/C17H17F2N7O/c1-2-26-16-14(23-24-26)15(21-9-22-16)25-7-11(8-25)17(27)20-6-10-3-4-12(18)5-13(10)19/h3-5,9,11H,2,6-8H2,1H3,(H,20,27)
InChIKeyXQEXZHYLPQNKOT-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.27
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 90557830) has the molecular formula C17H17F2N7O and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID90557830
Molecular FormulaC17H17F2N7O
Molecular Weight373.37 g/mol
Exact Mass373.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NCc4ccc(F)cc4F)C3)ncnc21
InChIInChI=1S/C17H17F2N7O/c1-2-26-16-14(23-24-26)15(21-9-22-16)25-7-11(8-25)17(27)20-6-10-3-4-12(18)5-13(10)19/h3-5,9,11H,2,6-8H2,1H3,(H,20,27)
InChIKeyXQEXZHYLPQNKOT-UHFFFAOYSA-N
XLogP1.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90557703
N-(3-acetamidophenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557737
N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557810
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90557797
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 90557836
N-(4-butylphenyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 71798164
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557670
1-[5-chloro-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-N-[(2,4-difluorophenyl)methyl]azetidine-3-carboxamide
CID 163367834
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
(3R)-N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 92895243
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584493

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 90557830) is N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is CCn1nnc2c(N3CC(C(=O)NCc4ccc(F)cc4F)C3)ncnc21.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is XQEXZHYLPQNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O/c1-2-26-16-14(23-24-26)15(21-9-22-16)25-7-11(8-25)17(27)20-6-10-3-4-12(18)5-13(10)19/h3-5,9,11H,2,6-8H2,1H3,(H,20,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).