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

C16H17N3O — CID 90252812

IUPAC2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1ccc2c(cnn2-c2cncc(C(C)(C)O)c2)c1
InChIInChI=1S/C16H17N3O/c1-11-4-5-15-12(6-11)8-18-19(15)14-7-13(9-17-10-14)16(2,3)20/h4-10,20H,1-3H3
InChIKeyNWYJBFDPQBXOBW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.96
Rot. Bonds2

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

2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252812) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252812
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1ccc2c(cnn2-c2cncc(C(C)(C)O)c2)c1
InChIInChI=1S/C16H17N3O/c1-11-4-5-15-12(6-11)8-18-19(15)14-7-13(9-17-10-14)16(2,3)20/h4-10,20H,1-3H3
InChIKeyNWYJBFDPQBXOBW-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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252812) is 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is Cc1ccc2c(cnn2-c2cncc(C(C)(C)O)c2)c1.
What is the InChIKey of 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is NWYJBFDPQBXOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-4-5-15-12(6-11)8-18-19(15)14-7-13(9-17-10-14)16(2,3)20/h4-10,20H,1-3H3.
What are the key properties of 2-[5-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(5-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-(5-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).