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

C21H21N5O — CID 164624576

IUPAC2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1
InChIInChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyITOUJCOTWVZFEE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.78
Rot. Bonds5

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

2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol (PubChem CID 164624576) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
PubChem CID164624576
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1
InChIInChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyITOUJCOTWVZFEE-UHFFFAOYSA-N
XLogP3.78
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol with MolForge

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Related Compounds

2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(tetrahydro-2H-pyran-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254005
Cdk8-IN-4
CID 75202254
2-methyl-1-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]propan-2-ol
CID 127030850
(R)-2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-ethanol
CID 10837591
5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine
CID 11560302
4-[[4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24960635
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
n-Cyclohexyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167072
2-(1h-Indazol-5-yl)-n-isopropylimidazo[1,2-a]pyrimidin-3-amine
CID 25167074

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The IUPAC name of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol (CID 164624576) is 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol is Cc1cccc(C(CO)Nc2cncc(-c3ccc4n[nH]c(C)c4c3)n2)c1.
What is the InChIKey of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
The InChIKey is ITOUJCOTWVZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-4-3-5-15(8-13)20(12-27)24-21-11-22-10-19(23-21)16-6-7-18-17(9-16)14(2)25-26-18/h3-11,20,27H,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol?
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-(3-methylphenyl)ethanol has a molecular weight of 359.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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-methylphenyl)ethanol is sourced from PubChem (CID 164624576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).