3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole

C20H24N4O — CID 90400886

IUPAC3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
SMILESCCCOc1ccc2[nH]nc(-c3ccnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-2-12-25-16-6-7-18-17(14-16)20(23-22-18)15-8-9-21-19(13-15)24-10-4-3-5-11-24/h6-9,13-14H,2-5,10-12H2,1H3,(H,22,23)
InChIKeyHZLQUVNNUHINFU-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.40
Rot. Bonds5

About 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole

3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole (PubChem CID 90400886) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole.

Molecular Properties

Compound Name3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
PubChem CID90400886
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
SMILESCCCOc1ccc2[nH]nc(-c3ccnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-2-12-25-16-6-7-18-17(14-16)20(23-22-18)15-8-9-21-19(13-15)24-10-4-3-5-11-24/h6-9,13-14H,2-5,10-12H2,1H3,(H,22,23)
InChIKeyHZLQUVNNUHINFU-UHFFFAOYSA-N
XLogP4.40
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole
CID 165137872
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-indazole
CID 123204578
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
CID 90400906
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole?
The IUPAC name of 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole (CID 90400886) is 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole.
What is the SMILES notation for 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole?
The canonical SMILES for 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole is CCCOc1ccc2[nH]nc(-c3ccnc(N4CCCCC4)c3)c2c1.
What is the InChIKey of 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole?
The InChIKey is HZLQUVNNUHINFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-12-25-16-6-7-18-17(14-16)20(23-22-18)15-8-9-21-19(13-15)24-10-4-3-5-11-24/h6-9,13-14H,2-5,10-12H2,1H3,(H,22,23).
What are the key properties of 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole?
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole has a molecular weight of 336.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole is sourced from PubChem (CID 90400886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).