5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole

C23H20N6 — CID 164616157

IUPAC5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cccnc4)c3)c2c1
InChIInChI=1S/C23H20N6/c1-15(2)29-14-25-28-23(29)18-8-9-21-20(12-18)22(27-26-21)17-6-3-5-16(11-17)19-7-4-10-24-13-19/h3-15H,1-2H3,(H,26,27)
InChIKeyKHJVEEYUMCWREY-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.13
Rot. Bonds4

About 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole

5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole (PubChem CID 164616157) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole
PubChem CID164616157
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cccnc4)c3)c2c1
InChIInChI=1S/C23H20N6/c1-15(2)29-14-25-28-23(29)18-8-9-21-20(12-18)22(27-26-21)17-6-3-5-16(11-17)19-7-4-10-24-13-19/h3-15H,1-2H3,(H,26,27)
InChIKeyKHJVEEYUMCWREY-UHFFFAOYSA-N
XLogP5.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5078
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CID 46911863
Gsk-1070916
CID 46885626
Ag-24322
CID 135413565
Afimetoran
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Vebreltinib
CID 72202701
6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6413301
PF-04254644
CID 24871823
FR-180204
CID 11493598
N-((9-Ethyl-9H-carbazol-3-YL)methylene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5347569
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole?
The IUPAC name of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole (CID 164616157) is 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole.
What is the SMILES notation for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole?
The canonical SMILES for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cccnc4)c3)c2c1.
What is the InChIKey of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole?
The InChIKey is KHJVEEYUMCWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-15(2)29-14-25-28-23(29)18-8-9-21-20(12-18)22(27-26-21)17-6-3-5-16(11-17)19-7-4-10-24-13-19/h3-15H,1-2H3,(H,26,27).
What are the key properties of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole?
5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole has a molecular weight of 380.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-(3-pyridin-3-ylphenyl)-1H-indazole is sourced from PubChem (CID 164616157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).