4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole

C20H20N6O — CID 122197449

IUPAC4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C20H20N6O/c1-2-17-16(6-9-22-17)18(3-1)27-15-7-11-25(12-8-15)19-4-5-20(24-23-19)26-13-10-21-14-26/h1-6,9-10,13-15,22H,7-8,11-12H2
InChIKeyUIZCNXTUIBGGMO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.19
Rot. Bonds4

About 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole

4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole (PubChem CID 122197449) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole
PubChem CID122197449
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C20H20N6O/c1-2-17-16(6-9-22-17)18(3-1)27-15-7-11-25(12-8-15)19-4-5-20(24-23-19)26-13-10-21-14-26/h1-6,9-10,13-15,22H,7-8,11-12H2
InChIKeyUIZCNXTUIBGGMO-UHFFFAOYSA-N
XLogP3.19
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole (CID 122197449) is 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole is c1cc(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is UIZCNXTUIBGGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-17-16(6-9-22-17)18(3-1)27-15-7-11-25(12-8-15)19-4-5-20(24-23-19)26-13-10-21-14-26/h1-6,9-10,13-15,22H,7-8,11-12H2.
What are the key properties of 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole?
4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 360.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 122197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).