2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol

C16H17N3O2 — CID 71242933

IUPAC2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
SMILESCOc1ccn2ncc(-c3ccc(NCCO)cc3)c2c1
InChIInChI=1S/C16H17N3O2/c1-21-14-6-8-19-16(10-14)15(11-18-19)12-2-4-13(5-3-12)17-7-9-20/h2-6,8,10-11,17,20H,7,9H2,1H3
InChIKeyRFSJYTTWLLKOBN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol

2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol (PubChem CID 71242933) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
PubChem CID71242933
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
SMILESCOc1ccn2ncc(-c3ccc(NCCO)cc3)c2c1
InChIInChI=1S/C16H17N3O2/c1-21-14-6-8-19-16(10-14)15(11-18-19)12-2-4-13(5-3-12)17-7-9-20/h2-6,8,10-11,17,20H,7,9H2,1H3
InChIKeyRFSJYTTWLLKOBN-UHFFFAOYSA-N
XLogP2.41
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol?
The IUPAC name of 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol (CID 71242933) is 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol is COc1ccn2ncc(-c3ccc(NCCO)cc3)c2c1.
What is the InChIKey of 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol?
The InChIKey is RFSJYTTWLLKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-14-6-8-19-16(10-14)15(11-18-19)12-2-4-13(5-3-12)17-7-9-20/h2-6,8,10-11,17,20H,7,9H2,1H3.
What are the key properties of 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol?
2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol is sourced from PubChem (CID 71242933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).