(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol

C20H18ClN5O — CID 164612470

IUPAC(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@@H](CO)c4ccc(Cl)cc4)n3)cc12
InChIInChI=1S/C20H18ClN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyDOSAHNFHSIRGMJ-IBGZPJMESA-N
MW379.85 g/mol
LogP4.13
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol

(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol (PubChem CID 164612470) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
PubChem CID164612470
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@@H](CO)c4ccc(Cl)cc4)n3)cc12
InChIInChI=1S/C20H18ClN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyDOSAHNFHSIRGMJ-IBGZPJMESA-N
XLogP4.13
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol with MolForge

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Related Compounds

Cdk8-IN-4
CID 75202254
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554730
6-(3-methyl-2H-indazol-5-yl)-N-piperidin-4-ylpyrazin-2-amine
CID 154654852
4-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 162671763
3-(2-amino-4-pyridinyl)-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide
CID 127047176
(2R)-2-[[6-(2-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137638529
(2R)-2-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]amino]-2-phenylethanol
CID 137641746
6-chloro-3-(1H-indazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155533307
Cdk9-IN-12
CID 162640599
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164609699
2-(2-fluorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol
CID 164609961
(2R)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164611914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol (CID 164612470) is (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol is Cc1[nH]nc2ccc(-c3cncc(N[C@@H](CO)c4ccc(Cl)cc4)n3)cc12.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
The InChIKey is DOSAHNFHSIRGMJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-12-16-8-14(4-7-17(16)26-25-12)18-9-22-10-20(23-18)24-19(11-27)13-2-5-15(21)6-3-13/h2-10,19,27H,11H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol?
(2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol has a molecular weight of 379.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]ethanol is sourced from PubChem (CID 164612470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).