5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

C22H21N5O — CID 67960084

IUPAC5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESc1ccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)cc1
InChIInChI=1S/C22H21N5O/c1-2-5-15(6-3-1)16-8-9-19-18(11-16)22(27-26-19)20-13-24-14-21(25-20)28-17-7-4-10-23-12-17/h1-3,5-6,8-9,11,13-14,17,23H,4,7,10,12H2,(H,26,27)
InChIKeyLXJUQPBBPJTCGH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.82
Rot. Bonds4

About 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (PubChem CID 67960084) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
PubChem CID67960084
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESc1ccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)cc1
InChIInChI=1S/C22H21N5O/c1-2-5-15(6-3-1)16-8-9-19-18(11-16)22(27-26-19)20-13-24-14-21(25-20)28-17-7-4-10-23-12-17/h1-3,5-6,8-9,11,13-14,17,23H,4,7,10,12H2,(H,26,27)
InChIKeyLXJUQPBBPJTCGH-UHFFFAOYSA-N
XLogP3.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959597
5-(5-fluoro-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960267
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-pyridazin-3-yl-1H-indazole
CID 67960106
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960019
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-indazole
CID 67959774
5-(2,6-difluorophenyl)-3-[6-[(3S,4S)-4-methylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959616
3-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-N-cyclopropylbenzamide
CID 67960606
5-(2,6-difluorophenyl)-3-[6-[(3R)-4,4-dimethylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959780
3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(4-fluoro-3-pyridinyl)-1H-indazole
CID 118725607
5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione
CID 164883551
3-[6-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
CID 57384133
5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
CID 86709771

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The IUPAC name of 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (CID 67960084) is 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.
What is the SMILES notation for 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The canonical SMILES for 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is c1ccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)cc1.
What is the InChIKey of 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The InChIKey is LXJUQPBBPJTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-5-15(6-3-1)16-8-9-19-18(11-16)22(27-26-19)20-13-24-14-21(25-20)28-17-7-4-10-23-12-17/h1-3,5-6,8-9,11,13-14,17,23H,4,7,10,12H2,(H,26,27).
What are the key properties of 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole has a molecular weight of 371.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 67960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).