1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile

C16H14N4O — CID 90252815

IUPAC1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile
SMILESCC(C)(O)c1cncc(-n2ncc3cc(C#N)ccc32)c1
InChIInChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3
InChIKeyBIWXIDYEYCQZEV-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.52
Rot. Bonds2

About 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile

1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile (PubChem CID 90252815) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile.

Molecular Properties

Compound Name1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile
PubChem CID90252815
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile
SMILESCC(C)(O)c1cncc(-n2ncc3cc(C#N)ccc32)c1
InChIInChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3
InChIKeyBIWXIDYEYCQZEV-UHFFFAOYSA-N
XLogP2.52
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile?
The IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile (CID 90252815) is 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile.
What is the SMILES notation for 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile?
The canonical SMILES for 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile is CC(C)(O)c1cncc(-n2ncc3cc(C#N)ccc32)c1.
What is the InChIKey of 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile?
The InChIKey is BIWXIDYEYCQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3.
What are the key properties of 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile?
1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-5-carbonitrile is sourced from PubChem (CID 90252815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).