7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol

C24H20F3N5O2 — CID 123376987

IUPAC7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol
SMILESCn1cc2cccc(Nc3cc(Nc4cccc5cn(C)c(O)c45)c(C(F)(F)F)cn3)c2c1O
InChIInChI=1S/C24H20F3N5O2/c1-31-11-13-5-3-7-16(20(13)22(31)33)29-18-9-19(28-10-15(18)24(25,26)27)30-17-8-4-6-14-12-32(2)23(34)21(14)17/h3-12,33-34H,1-2H3,(H2,28,29,30)
InChIKeyQZXMSXLPJWNLSK-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.98
Rot. Bonds4

About 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol

7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol (PubChem CID 123376987) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol.

Molecular Properties

Compound Name7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol
PubChem CID123376987
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol
SMILESCn1cc2cccc(Nc3cc(Nc4cccc5cn(C)c(O)c45)c(C(F)(F)F)cn3)c2c1O
InChIInChI=1S/C24H20F3N5O2/c1-31-11-13-5-3-7-16(20(13)22(31)33)29-18-9-19(28-10-15(18)24(25,26)27)30-17-8-4-6-14-12-32(2)23(34)21(14)17/h3-12,33-34H,1-2H3,(H2,28,29,30)
InChIKeyQZXMSXLPJWNLSK-UHFFFAOYSA-N
XLogP5.98
TPSA87.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol with MolForge

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Related Compounds

4,5-Dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-5H-pyrido(4,3-b)indol-8-ol
CID 183300
2-[2-Amino-5-(1-ethylindol-4-yl)pyrimidin-4-yl]phenol
CID 136000660
16-[3-(Dimethylamino)propylamino]-11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
CID 11451311
16-[3-(Diethylamino)propylamino]-11,13-dimethyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
CID 14612624
(2R)-4-amino-5-fluorospiro[1H-quinazoline-2,9'-8,10-dihydro-7H-pyrido[3,4-a]indolizine]-5'-ol
CID 54091219
1-(3-fluoro-4-hydroxyphenyl)-N'-hydroxy-2-(2-methylpyrrol-1-yl)indole-3-carboximidamide
CID 87370216
4-[[2-(3-Fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 90468390
2-[2-(2-Fluorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)isoindol-1-ol
CID 90685162
3-[7-fluoro-3-hydroxy-2-[(4-pyrrol-1-ylphenyl)methyl]isoindol-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 90700125
1-[2-Chloro-4-[[2-(2-fluoroethyl)-3-hydroxyisoindol-4-yl]amino]pyrimidin-5-yl]ethanone
CID 90705199
3-[[4-[(3-Hydroxy-2-methylisoindol-4-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methylbenzamide
CID 90733486
CID 90803283
CID 90803283

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol?
The IUPAC name of 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol (CID 123376987) is 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol.
What is the SMILES notation for 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol?
The canonical SMILES for 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol is Cn1cc2cccc(Nc3cc(Nc4cccc5cn(C)c(O)c45)c(C(F)(F)F)cn3)c2c1O.
What is the InChIKey of 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol?
The InChIKey is QZXMSXLPJWNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-31-11-13-5-3-7-16(20(13)22(31)33)29-18-9-19(28-10-15(18)24(25,26)27)30-17-8-4-6-14-12-32(2)23(34)21(14)17/h3-12,33-34H,1-2H3,(H2,28,29,30).
What are the key properties of 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol?
7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol has a molecular weight of 467.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(3-hydroxy-2-methylisoindol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methylisoindol-1-ol is sourced from PubChem (CID 123376987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).