2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol

C26H32N6O2 — CID 143926370

IUPAC2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)C3(CC3)C2)c1CO
InChIInChI=1S/C26H32N6O2/c1-18-20(16-33)24(30-29-21(18)13-19-7-5-4-6-8-19)31-11-12-32(26(17-31)9-10-26)23-15-27-22(14-28-23)25(2,3)34/h4-8,14-15,33-34H,9-13,16-17H2,1-3H3
InChIKeyMGYBKKWRJUUENP-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.74
Rot. Bonds6

About 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol

2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 143926370) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol
PubChem CID143926370
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)C3(CC3)C2)c1CO
InChIInChI=1S/C26H32N6O2/c1-18-20(16-33)24(30-29-21(18)13-19-7-5-4-6-8-19)31-11-12-32(26(17-31)9-10-26)23-15-27-22(14-28-23)25(2,3)34/h4-8,14-15,33-34H,9-13,16-17H2,1-3H3
InChIKeyMGYBKKWRJUUENP-UHFFFAOYSA-N
XLogP2.74
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol (CID 143926370) is 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)C3(CC3)C2)c1CO.
What is the InChIKey of 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is MGYBKKWRJUUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18-20(16-33)24(30-29-21(18)13-19-7-5-4-6-8-19)31-11-12-32(26(17-31)9-10-26)23-15-27-22(14-28-23)25(2,3)34/h4-8,14-15,33-34H,9-13,16-17H2,1-3H3.
What are the key properties of 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 460.58 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-[6-benzyl-4-(hydroxymethyl)-5-methylpyridazin-3-yl]-4,7-diazaspiro[2.5]octan-4-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 143926370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).