3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

C24H25N7O — CID 162648691

IUPAC3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCN1CCC(Oc2ccc3nc(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)[nH]c3c2)CC1
InChIInChI=1S/C24H25N7O/c1-30-9-7-17(8-10-30)32-18-4-6-21-22(12-18)27-24(26-21)23-19-11-15(3-5-20(19)28-29-23)16-13-25-31(2)14-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQBZDEFCXGDRXGR-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.98
Rot. Bonds4

About 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 162648691) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID162648691
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCN1CCC(Oc2ccc3nc(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)[nH]c3c2)CC1
InChIInChI=1S/C24H25N7O/c1-30-9-7-17(8-10-30)32-18-4-6-21-22(12-18)27-24(26-21)23-19-11-15(3-5-20(19)28-29-23)16-13-25-31(2)14-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyQBZDEFCXGDRXGR-UHFFFAOYSA-N
XLogP3.98
TPSA87.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (CID 162648691) is 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is CN1CCC(Oc2ccc3nc(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is QBZDEFCXGDRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-30-9-7-17(8-10-30)32-18-4-6-21-22(12-18)27-24(26-21)23-19-11-15(3-5-20(19)28-29-23)16-13-25-31(2)14-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 427.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 162648691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).