2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

C24H22F3N11O2 — CID 156838304

IUPAC2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCN(c1cnc2c(c1)nc(Nc1ccc(OC(F)(F)F)cc1)n2C)c1ccnc(Nc2ccn(CC(N)=O)n2)n1
InChIInChI=1S/C24H22F3N11O2/c1-36(20-7-9-29-22(34-20)33-19-8-10-38(35-19)13-18(28)39)15-11-17-21(30-12-15)37(2)23(32-17)31-14-3-5-16(6-4-14)40-24(25,26)27/h3-12H,13H2,1-2H3,(H2,28,39)(H,31,32)(H,29,33,34,35)
InChIKeyHNBSYGKMJTVXLY-UHFFFAOYSA-N
MW553.51 g/mol
LogP3.59
Rot. Bonds9

About 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 156838304) has the molecular formula C24H22F3N11O2 and a molecular weight of 553.51 g/mol. Its IUPAC name is 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID156838304
Molecular FormulaC24H22F3N11O2
Molecular Weight553.51 g/mol
Exact Mass553.19
IUPAC Name2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCN(c1cnc2c(c1)nc(Nc1ccc(OC(F)(F)F)cc1)n2C)c1ccnc(Nc2ccn(CC(N)=O)n2)n1
InChIInChI=1S/C24H22F3N11O2/c1-36(20-7-9-29-22(34-20)33-19-8-10-38(35-19)13-18(28)39)15-11-17-21(30-12-15)37(2)23(32-17)31-14-3-5-16(6-4-14)40-24(25,26)27/h3-12H,13H2,1-2H3,(H2,28,39)(H,31,32)(H,29,33,34,35)
InChIKeyHNBSYGKMJTVXLY-UHFFFAOYSA-N
XLogP3.59
TPSA153.93 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.51
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-5-(pyrazol-1-yl)imidazo[1,2-a]pyridine
CID 11689612
N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
3-[2-[4-[4-(2-Methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-pyridin-2-yl-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10118562
8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine
CID 24810995
8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-propan-2-ylpurine-2,8-diamine
CID 24810997
9-ethyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine
CID 24810999
1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633305
2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo[3,4-d]pyrimidin-2-yl)acetamide
CID 42633668

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (CID 156838304) is 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is CN(c1cnc2c(c1)nc(Nc1ccc(OC(F)(F)F)cc1)n2C)c1ccnc(Nc2ccn(CC(N)=O)n2)n1.
What is the InChIKey of 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is HNBSYGKMJTVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N11O2/c1-36(20-7-9-29-22(34-20)33-19-8-10-38(35-19)13-18(28)39)15-11-17-21(30-12-15)37(2)23(32-17)31-14-3-5-16(6-4-14)40-24(25,26)27/h3-12H,13H2,1-2H3,(H2,28,39)(H,31,32)(H,29,33,34,35).
What are the key properties of 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 553.51 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[methyl-[3-methyl-2-[4-(trifluoromethoxy)anilino]imidazo[4,5-b]pyridin-6-yl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 156838304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).