2-[4-methyl-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

C25H24F3N11O2 — CID 156838293

IUPAC2-[4-methyl-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
SMILESCc1cn(CC(N)=O)nc1Nc1nccc(N(C)c2cnc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C)n1
InChIInChI=1S/C25H24F3N11O2/c1-14-12-39(13-19(29)40)36-21(14)35-23-30-9-8-20(34-23)37(2)16-10-18-22(31-11-16)38(3)24(33-18)32-15-4-6-17(7-5-15)41-25(26,27)28/h4-12H,13H2,1-3H3,(H2,29,40)(H,32,33)(H,30,34,35,36)
InChIKeyYHYDWPJWWPDOBG-UHFFFAOYSA-N
MW567.54 g/mol
LogP3.90
Rot. Bonds9

About 2-[4-methyl-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-[4-methyl-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 156838293) has the molecular formula C25H24F3N11O2 and a molecular weight of 567.54 g/mol. Its IUPAC name is 2-[4-methyl-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-[4-methyl-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 CID156838293
Molecular FormulaC25H24F3N11O2
Molecular Weight567.54 g/mol
Exact Mass567.21
IUPAC Name2-[4-methyl-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
SMILESCc1cn(CC(N)=O)nc1Nc1nccc(N(C)c2cnc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C)n1
InChIInChI=1S/C25H24F3N11O2/c1-14-12-39(13-19(29)40)36-21(14)35-23-30-9-8-20(34-23)37(2)16-10-18-22(31-11-16)38(3)24(33-18)32-15-4-6-17(7-5-15)41-25(26,27)28/h4-12H,13H2,1-3H3,(H2,29,40)(H,32,33)(H,30,34,35,36)
InChIKeyYHYDWPJWWPDOBG-UHFFFAOYSA-N
XLogP3.90
TPSA153.93 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.54
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-methyl-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

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Related Compounds

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
N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
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
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
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
5-methyl-N-[4-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 44589729
6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781218
1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49781881

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-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-[4-methyl-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 156838293) is 2-[4-methyl-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-[4-methyl-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-[4-methyl-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 Cc1cn(CC(N)=O)nc1Nc1nccc(N(C)c2cnc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C)n1.
What is the InChIKey of 2-[4-methyl-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 YHYDWPJWWPDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N11O2/c1-14-12-39(13-19(29)40)36-21(14)35-23-30-9-8-20(34-23)37(2)16-10-18-22(31-11-16)38(3)24(33-18)32-15-4-6-17(7-5-15)41-25(26,27)28/h4-12H,13H2,1-3H3,(H2,29,40)(H,32,33)(H,30,34,35,36).
What are the key properties of 2-[4-methyl-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-[4-methyl-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 567.54 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-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 156838293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).