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

C16H17N3O — CID 118496543

IUPAC2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-14-6-4-5-7-15(14)19(18-11)13-8-12(9-17-10-13)16(2,3)20/h4-10,20H,1-3H3
InChIKeyBGBQXEJJHWCXMW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.96
Rot. Bonds2

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

2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 118496543) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID118496543
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12
InChIInChI=1S/C16H17N3O/c1-11-14-6-4-5-7-15(14)19(18-11)13-8-12(9-17-10-13)16(2,3)20/h4-10,20H,1-3H3
InChIKeyBGBQXEJJHWCXMW-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 118496543) is 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is Cc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12.
What is the InChIKey of 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is BGBQXEJJHWCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-14-6-4-5-7-15(14)19(18-11)13-8-12(9-17-10-13)16(2,3)20/h4-10,20H,1-3H3.
What are the key properties of 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).