3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole

C25H24N6O — CID 137133154

IUPAC3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4nc5ccc(N6CCCCC6)cc5[nH]4)c3c2)nc1
InChIInChI=1S/C25H24N6O/c1-4-12-31(13-5-1)18-7-9-22-23(14-18)28-25(27-22)24-20-15-19(8-10-21(20)29-30-24)32-16-17-6-2-3-11-26-17/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,27,28)(H,29,30)
InChIKeyDSAYKPYMTVBWGX-UHFFFAOYSA-N
MW424.51 g/mol
LogP5.07
Rot. Bonds5

About 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole

3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole (PubChem CID 137133154) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole
PubChem CID137133154
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4nc5ccc(N6CCCCC6)cc5[nH]4)c3c2)nc1
InChIInChI=1S/C25H24N6O/c1-4-12-31(13-5-1)18-7-9-22-23(14-18)28-25(27-22)24-20-15-19(8-10-21(20)29-30-24)32-16-17-6-2-3-11-26-17/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,27,28)(H,29,30)
InChIKeyDSAYKPYMTVBWGX-UHFFFAOYSA-N
XLogP5.07
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole?
The IUPAC name of 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole (CID 137133154) is 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole.
What is the SMILES notation for 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole?
The canonical SMILES for 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole is c1ccc(COc2ccc3[nH]nc(-c4nc5ccc(N6CCCCC6)cc5[nH]4)c3c2)nc1.
What is the InChIKey of 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole?
The InChIKey is DSAYKPYMTVBWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-4-12-31(13-5-1)18-7-9-22-23(14-18)28-25(27-22)24-20-15-19(8-10-21(20)29-30-24)32-16-17-6-2-3-11-26-17/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,27,28)(H,29,30).
What are the key properties of 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole?
3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole has a molecular weight of 424.51 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(pyridin-2-ylmethoxy)-1H-indazole is sourced from PubChem (CID 137133154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).