5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole

C23H23N5O — CID 155546912

IUPAC5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-7-8-21-20(14-19)23(27-26-21)18-6-9-22(25-15-18)28-12-10-24-11-13-28/h1-9,14-15,24H,10-13,16H2,(H,26,27)
InChIKeyCASWULCLAUFMOM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.61
Rot. Bonds5

About 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole

5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole (PubChem CID 155546912) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
PubChem CID155546912
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-7-8-21-20(14-19)23(27-26-21)18-6-9-22(25-15-18)28-12-10-24-11-13-28/h1-9,14-15,24H,10-13,16H2,(H,26,27)
InChIKeyCASWULCLAUFMOM-UHFFFAOYSA-N
XLogP3.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The IUPAC name of 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole (CID 155546912) is 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole.
What is the SMILES notation for 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The canonical SMILES for 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole is c1ccc(COc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1.
What is the InChIKey of 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
The InChIKey is CASWULCLAUFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-7-8-21-20(14-19)23(27-26-21)18-6-9-22(25-15-18)28-12-10-24-11-13-28/h1-9,14-15,24H,10-13,16H2,(H,26,27).
What are the key properties of 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole?
5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole has a molecular weight of 385.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 155546912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).