(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

C19H17N5O — CID 164621641

IUPAC(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)n1)c1ccccc1
InChIInChI=1S/C19H17N5O/c25-12-18(13-4-2-1-3-5-13)23-19-11-20-10-17(22-19)14-6-7-16-15(8-14)9-21-24-16/h1-11,18,25H,12H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyYEXCZIAKGRZXLL-SFHVURJKSA-N
MW331.38 g/mol
LogP3.17
Rot. Bonds5

About (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (PubChem CID 164621641) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
PubChem CID164621641
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)n1)c1ccccc1
InChIInChI=1S/C19H17N5O/c25-12-18(13-4-2-1-3-5-13)23-19-11-20-10-17(22-19)14-6-7-16-15(8-14)9-21-24-16/h1-11,18,25H,12H2,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyYEXCZIAKGRZXLL-SFHVURJKSA-N
XLogP3.17
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (CID 164621641) is (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)n1)c1ccccc1.
What is the InChIKey of (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The InChIKey is YEXCZIAKGRZXLL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17N5O/c25-12-18(13-4-2-1-3-5-13)23-19-11-20-10-17(22-19)14-6-7-16-15(8-14)9-21-24-16/h1-11,18,25H,12H2,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol has a molecular weight of 331.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 164621641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).