2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol

C16H17N3O2 — CID 90252809

IUPAC2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCOc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-16(2,20)11-8-12(10-17-9-11)19-14-7-5-4-6-13(14)15(18-19)21-3/h4-10,20H,1-3H3
InChIKeyMXOXOGNZECSPJB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds3

About 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol

2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252809) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252809
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCOc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-16(2,20)11-8-12(10-17-9-11)19-14-7-5-4-6-13(14)15(18-19)21-3/h4-10,20H,1-3H3
InChIKeyMXOXOGNZECSPJB-UHFFFAOYSA-N
XLogP2.66
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252809) is 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol is COc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12.
What is the InChIKey of 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is MXOXOGNZECSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,20)11-8-12(10-17-9-11)19-14-7-5-4-6-13(14)15(18-19)21-3/h4-10,20H,1-3H3.
What are the key properties of 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).