2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C20H19ClF3N7O2 — CID 171636707

IUPAC2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1nc(C2CN(C(=O)c3ccnc(N)n3)C2)c2cc(Cl)ccc21
InChIInChI=1S/C20H19ClF3N7O2/c1-29(10-20(22,23)24)16(32)9-31-15-3-2-12(21)6-13(15)17(28-31)11-7-30(8-11)18(33)14-4-5-26-19(25)27-14/h2-6,11H,7-10H2,1H3,(H2,25,26,27)
InChIKeyXTLSLPPKDGMGID-UHFFFAOYSA-N
MW481.87 g/mol
LogP2.32
Rot. Bonds5

About 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 171636707) has the molecular formula C20H19ClF3N7O2 and a molecular weight of 481.87 g/mol. Its IUPAC name is 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID171636707
Molecular FormulaC20H19ClF3N7O2
Molecular Weight481.87 g/mol
Exact Mass481.12
IUPAC Name2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1nc(C2CN(C(=O)c3ccnc(N)n3)C2)c2cc(Cl)ccc21
InChIInChI=1S/C20H19ClF3N7O2/c1-29(10-20(22,23)24)16(32)9-31-15-3-2-12(21)6-13(15)17(28-31)11-7-30(8-11)18(33)14-4-5-26-19(25)27-14/h2-6,11H,7-10H2,1H3,(H2,25,26,27)
InChIKeyXTLSLPPKDGMGID-UHFFFAOYSA-N
XLogP2.32
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.87
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[1-(2-amino-5-fluoropyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 171636523
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636925
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide
CID 171636778
2-[3-(azetidin-3-yl)-4,6-difluoroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 177252945
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
CID 171636567
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]-5-fluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636685
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894567
2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 75447270
2-[3-[1-(2-amino-3-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636877
methyl 2-(4-chlorophenyl)-2-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazin-1-yl]acetate
CID 60509558
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 171636707) is 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1nc(C2CN(C(=O)c3ccnc(N)n3)C2)c2cc(Cl)ccc21.
What is the InChIKey of 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XTLSLPPKDGMGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N7O2/c1-29(10-20(22,23)24)16(32)9-31-15-3-2-12(21)6-13(15)17(28-31)11-7-30(8-11)18(33)14-4-5-26-19(25)27-14/h2-6,11H,7-10H2,1H3,(H2,25,26,27).
What are the key properties of 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 481.87 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 171636707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).