1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one

C26H28N8O2 — CID 158918381

IUPAC1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
SMILESO=C(Cc1ccc([C@H]2CCC[C@H](c3ccc(CC(=O)Cc4cnc[nH]4)nn3)C2)nn1)Cc1cnc[nH]1
InChIInChI=1S/C26H28N8O2/c35-23(11-21-13-27-15-29-21)9-19-4-6-25(33-31-19)17-2-1-3-18(8-17)26-7-5-20(32-34-26)10-24(36)12-22-14-28-16-30-22/h4-7,13-18H,1-3,8-12H2,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyJHNDIAVJMLFWBA-ROUUACIJSA-N
MW484.56 g/mol
LogP2.86
Rot. Bonds10

About 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one

1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one (PubChem CID 158918381) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
PubChem CID158918381
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
SMILESO=C(Cc1ccc([C@H]2CCC[C@H](c3ccc(CC(=O)Cc4cnc[nH]4)nn3)C2)nn1)Cc1cnc[nH]1
InChIInChI=1S/C26H28N8O2/c35-23(11-21-13-27-15-29-21)9-19-4-6-25(33-31-19)17-2-1-3-18(8-17)26-7-5-20(32-34-26)10-24(36)12-22-14-28-16-30-22/h4-7,13-18H,1-3,8-12H2,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyJHNDIAVJMLFWBA-ROUUACIJSA-N
XLogP2.86
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one (CID 158918381) is 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one is O=C(Cc1ccc([C@H]2CCC[C@H](c3ccc(CC(=O)Cc4cnc[nH]4)nn3)C2)nn1)Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
The InChIKey is JHNDIAVJMLFWBA-ROUUACIJSA-N. The full InChI is InChI=1S/C26H28N8O2/c35-23(11-21-13-27-15-29-21)9-19-4-6-25(33-31-19)17-2-1-3-18(8-17)26-7-5-20(32-34-26)10-24(36)12-22-14-28-16-30-22/h4-7,13-18H,1-3,8-12H2,(H,27,29)(H,28,30)/t17-,18-/m0/s1.
What are the key properties of 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one?
1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one has a molecular weight of 484.56 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-3-[6-[(1S,3S)-3-[6-[3-(1H-imidazol-5-yl)-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one is sourced from PubChem (CID 158918381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).