2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol

C21H18F3N5O2 — CID 164621451

IUPAC2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4cccc(OC(F)(F)F)c4)n3)cc12
InChIInChI=1S/C21H18F3N5O2/c1-12-16-8-14(5-6-17(16)29-28-12)18-9-25-10-20(26-18)27-19(11-30)13-3-2-4-15(7-13)31-21(22,23)24/h2-10,19,30H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyBJWIBDRERMFLNX-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.37
Rot. Bonds6

About 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol

2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 164621451) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID164621451
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(NC(CO)c4cccc(OC(F)(F)F)c4)n3)cc12
InChIInChI=1S/C21H18F3N5O2/c1-12-16-8-14(5-6-17(16)29-28-12)18-9-25-10-20(26-18)27-19(11-30)13-3-2-4-15(7-13)31-21(22,23)24/h2-10,19,30H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyBJWIBDRERMFLNX-UHFFFAOYSA-N
XLogP4.37
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]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-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanol
CID 57403779
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 50898349
7-[1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53316730
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53319366
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53324650
N-{1-[4-Hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-yl}-2-(5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide
CID 54754967
4-(4-(5-Methoxy-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472082
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223478
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol (CID 164621451) is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol is Cc1[nH]nc2ccc(-c3cncc(NC(CO)c4cccc(OC(F)(F)F)c4)n3)cc12.
What is the InChIKey of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is BJWIBDRERMFLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-12-16-8-14(5-6-17(16)29-28-12)18-9-25-10-20(26-18)27-19(11-30)13-3-2-4-15(7-13)31-21(22,23)24/h2-10,19,30H,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol?
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 429.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 164621451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).