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

C18H19N3O — CID 90252956

IUPAC2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2nc(C3CC3)c3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-18(2,22)13-9-14(11-19-10-13)21-16-6-4-3-5-15(16)17(20-21)12-7-8-12/h3-6,9-12,22H,7-8H2,1-2H3
InChIKeyLTYMEDPKWFPKTG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.53
Rot. Bonds3

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

2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252956) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252956
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2nc(C3CC3)c3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-18(2,22)13-9-14(11-19-10-13)21-16-6-4-3-5-15(16)17(20-21)12-7-8-12/h3-6,9-12,22H,7-8H2,1-2H3
InChIKeyLTYMEDPKWFPKTG-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252956) is 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-n2nc(C3CC3)c3ccccc32)c1.
What is the InChIKey of 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is LTYMEDPKWFPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,22)13-9-14(11-19-10-13)21-16-6-4-3-5-15(16)17(20-21)12-7-8-12/h3-6,9-12,22H,7-8H2,1-2H3.
What are the key properties of 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 293.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-cyclopropylindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).