2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol

C27H31FN6O — CID 59823282

IUPAC2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C27H31FN6O/c1-18-15-22-23(30-18)5-6-24(26(22)28)32-25-7-11-29-27(33-25)31-21-4-2-3-20(16-21)17-34-12-8-19(9-13-34)10-14-35/h2-7,11,15-16,19,30,35H,8-10,12-14,17H2,1H3,(H2,29,31,32,33)
InChIKeyFADWROUHOIMRPI-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.49
Rot. Bonds8

About 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol

2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol (PubChem CID 59823282) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
PubChem CID59823282
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C27H31FN6O/c1-18-15-22-23(30-18)5-6-24(26(22)28)32-25-7-11-29-27(33-25)31-21-4-2-3-20(16-21)17-34-12-8-19(9-13-34)10-14-35/h2-7,11,15-16,19,30,35H,8-10,12-14,17H2,1H3,(H2,29,31,32,33)
InChIKeyFADWROUHOIMRPI-UHFFFAOYSA-N
XLogP5.49
TPSA89.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol 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

[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonic acid
CID 89427711
N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 59823385
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine
CID 71201555
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 59823290
[1-[[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol
CID 166035778
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
CID 59823226
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(1-sulfanylpiperidin-4-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 145496907
1,1,1-trifluoro-N-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71057264
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine
CID 59823335
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]pyrimidine-2,4-diamine
CID 145496898
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol (CID 59823282) is 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol is Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is FADWROUHOIMRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-18-15-22-23(30-18)5-6-24(26(22)28)32-25-7-11-29-27(33-25)31-21-4-2-3-20(16-21)17-34-12-8-19(9-13-34)10-14-35/h2-7,11,15-16,19,30,35H,8-10,12-14,17H2,1H3,(H2,29,31,32,33).
What are the key properties of 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol?
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 474.58 g/mol, XLogP of 5.49, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 59823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).