3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol

C18H21N5O — CID 164622173

IUPAC3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESCc1[nH]nc2ccc(-c3cncc(NC4CCCC(O)C4)n3)cc12
InChIInChI=1S/C18H21N5O/c1-11-15-7-12(5-6-16(15)23-22-11)17-9-19-10-18(21-17)20-13-3-2-4-14(24)8-13/h5-7,9-10,13-14,24H,2-4,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyLPMINUZUMUXWKI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds3

About 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol

3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 164622173) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol
PubChem CID164622173
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESCc1[nH]nc2ccc(-c3cncc(NC4CCCC(O)C4)n3)cc12
InChIInChI=1S/C18H21N5O/c1-11-15-7-12(5-6-16(15)23-22-11)17-9-19-10-18(21-17)20-13-3-2-4-14(24)8-13/h5-7,9-10,13-14,24H,2-4,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyLPMINUZUMUXWKI-UHFFFAOYSA-N
XLogP3.04
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol (CID 164622173) is 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol is Cc1[nH]nc2ccc(-c3cncc(NC4CCCC(O)C4)n3)cc12.
What is the InChIKey of 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is LPMINUZUMUXWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-15-7-12(5-6-16(15)23-22-11)17-9-19-10-18(21-17)20-13-3-2-4-14(24)8-13/h5-7,9-10,13-14,24H,2-4,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol?
3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 164622173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).