3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole

C19H23N5O — CID 165137872

IUPAC3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole
SMILESCCCOc1ccc2[nH]nc(-c3cnnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C19H23N5O/c1-2-10-25-15-6-7-17-16(12-15)19(23-21-17)14-11-18(22-20-13-14)24-8-4-3-5-9-24/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,23)
InChIKeyCLEOCRQSJGIBOJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.80
Rot. Bonds5

About 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole

3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole (PubChem CID 165137872) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole.

Molecular Properties

Compound Name3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole
PubChem CID165137872
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole
SMILESCCCOc1ccc2[nH]nc(-c3cnnc(N4CCCCC4)c3)c2c1
InChIInChI=1S/C19H23N5O/c1-2-10-25-15-6-7-17-16(12-15)19(23-21-17)14-11-18(22-20-13-14)24-8-4-3-5-9-24/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,23)
InChIKeyCLEOCRQSJGIBOJ-UHFFFAOYSA-N
XLogP3.80
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166635576
6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11596752
6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-ylmethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407178
6-(4-ethoxyphenyl)-N,4,5,7-tetramethyl-N-(2-(pyridin-2-yl)ethyl)-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407183
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 46239835
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole?
The IUPAC name of 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole (CID 165137872) is 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole.
What is the SMILES notation for 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole?
The canonical SMILES for 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole is CCCOc1ccc2[nH]nc(-c3cnnc(N4CCCCC4)c3)c2c1.
What is the InChIKey of 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole?
The InChIKey is CLEOCRQSJGIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-10-25-15-6-7-17-16(12-15)19(23-21-17)14-11-18(22-20-13-14)24-8-4-3-5-9-24/h6-7,11-13H,2-5,8-10H2,1H3,(H,21,23).
What are the key properties of 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole?
3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole has a molecular weight of 337.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole is sourced from PubChem (CID 165137872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).