(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol

C19H20N6O2 — CID 59199061

IUPAC(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn([C@H](C)CO)c4)nc23)cc1
InChIInChI=1S/C19H20N6O2/c1-13(12-26)25-11-15(10-20-25)21-19-22-18-17(4-3-9-24(18)23-19)14-5-7-16(27-2)8-6-14/h3-11,13,26H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeySOAZJXRYDAOFEW-CYBMUJFWSA-N
MW364.41 g/mol
LogP2.90
Rot. Bonds6

About (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol

(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol (PubChem CID 59199061) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol
PubChem CID59199061
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2cccn3nc(Nc4cnn([C@H](C)CO)c4)nc23)cc1
InChIInChI=1S/C19H20N6O2/c1-13(12-26)25-11-15(10-20-25)21-19-22-18-17(4-3-9-24(18)23-19)14-5-7-16(27-2)8-6-14/h3-11,13,26H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeySOAZJXRYDAOFEW-CYBMUJFWSA-N
XLogP2.90
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The IUPAC name of (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol (CID 59199061) is (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol is COc1ccc(-c2cccn3nc(Nc4cnn([C@H](C)CO)c4)nc23)cc1.
What is the InChIKey of (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
The InChIKey is SOAZJXRYDAOFEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13(12-26)25-11-15(10-20-25)21-19-22-18-17(4-3-9-24(18)23-19)14-5-7-16(27-2)8-6-14/h3-11,13,26H,12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol?
(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol has a molecular weight of 364.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 59199061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).