[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone

C33H28N8O2 — CID 169324371

IUPAC[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)nc1)N1CCC2(CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)C2)C1
InChIInChI=1S/C33H28N8O2/c42-31(21-12-13-26(34-18-21)29-36-22-6-1-2-7-23(22)37-29)40-16-14-33(19-40)15-17-41(20-33)32(43)28-11-5-10-27(35-28)30-38-24-8-3-4-9-25(24)39-30/h1-13,18H,14-17,19-20H2,(H,36,37)(H,38,39)
InChIKeyXGSRTRGSISDZSI-UHFFFAOYSA-N
MW568.64 g/mol
LogP4.94
Rot. Bonds4

About [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone

[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone (PubChem CID 169324371) has the molecular formula C33H28N8O2 and a molecular weight of 568.64 g/mol. Its IUPAC name is [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone
PubChem CID169324371
Molecular FormulaC33H28N8O2
Molecular Weight568.64 g/mol
Exact Mass568.23
IUPAC Name[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)nc1)N1CCC2(CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)C2)C1
InChIInChI=1S/C33H28N8O2/c42-31(21-12-13-26(34-18-21)29-36-22-6-1-2-7-23(22)37-29)40-16-14-33(19-40)15-17-41(20-33)32(43)28-11-5-10-27(35-28)30-38-24-8-3-4-9-25(24)39-30/h1-13,18H,14-17,19-20H2,(H,36,37)(H,38,39)
InChIKeyXGSRTRGSISDZSI-UHFFFAOYSA-N
XLogP4.94
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.64
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone?
The IUPAC name of [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone (CID 169324371) is [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone is O=C(c1ccc(-c2nc3ccccc3[nH]2)nc1)N1CCC2(CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)C2)C1.
What is the InChIKey of [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone?
The InChIKey is XGSRTRGSISDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N8O2/c42-31(21-12-13-26(34-18-21)29-36-22-6-1-2-7-23(22)37-29)40-16-14-33(19-40)15-17-41(20-33)32(43)28-11-5-10-27(35-28)30-38-24-8-3-4-9-25(24)39-30/h1-13,18H,14-17,19-20H2,(H,36,37)(H,38,39).
What are the key properties of [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone?
[2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 568.64 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 169324371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).