(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

C19H18N6O — CID 164627904

IUPAC(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ncc(-c3cncc(N[C@@H](CO)c4ccccc4)n3)cc12
InChIInChI=1S/C19H18N6O/c1-12-15-7-14(8-21-19(15)25-24-12)16-9-20-10-18(22-16)23-17(11-26)13-5-3-2-4-6-13/h2-10,17,26H,11H2,1H3,(H,22,23)(H,21,24,25)/t17-/m0/s1
InChIKeyJJEJUQGQRITNHI-KRWDZBQOSA-N
MW346.39 g/mol
LogP2.87
Rot. Bonds5

About (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (PubChem CID 164627904) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
PubChem CID164627904
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ncc(-c3cncc(N[C@@H](CO)c4ccccc4)n3)cc12
InChIInChI=1S/C19H18N6O/c1-12-15-7-14(8-21-19(15)25-24-12)16-9-20-10-18(22-16)23-17(11-26)13-5-3-2-4-6-13/h2-10,17,26H,11H2,1H3,(H,22,23)(H,21,24,25)/t17-/m0/s1
InChIKeyJJEJUQGQRITNHI-KRWDZBQOSA-N
XLogP2.87
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (CID 164627904) is (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is Cc1[nH]nc2ncc(-c3cncc(N[C@@H](CO)c4ccccc4)n3)cc12.
What is the InChIKey of (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The InChIKey is JJEJUQGQRITNHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-15-7-14(8-21-19(15)25-24-12)16-9-20-10-18(22-16)23-17(11-26)13-5-3-2-4-6-13/h2-10,17,26H,11H2,1H3,(H,22,23)(H,21,24,25)/t17-/m0/s1.
What are the key properties of (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
(2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol has a molecular weight of 346.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 164627904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).