N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide

C26H22N8OS — CID 123729227

IUPACN-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide
SMILES[H]/N=N/C(c1cncc(-c2cncc(NC(=O)C3CCC3)c2)c1)c1nc2c(-c3cccs3)cncc2[nH]1
InChIInChI=1S/C26H22N8OS/c27-34-23(25-32-21-14-30-13-20(24(21)33-25)22-5-2-6-36-22)18-7-16(9-28-11-18)17-8-19(12-29-10-17)31-26(35)15-3-1-4-15/h2,5-15,23,27H,1,3-4H2,(H,31,35)(H,32,33)/b34-27+
InChIKeyWGVMNZZTAIGXGO-DNGXXSEMSA-N
MW494.58 g/mol
LogP6.00
Rot. Bonds7

About N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 123729227) has the molecular formula C26H22N8OS and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID123729227
Molecular FormulaC26H22N8OS
Molecular Weight494.58 g/mol
Exact Mass494.16
IUPAC NameN-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide
SMILES[H]/N=N/C(c1cncc(-c2cncc(NC(=O)C3CCC3)c2)c1)c1nc2c(-c3cccs3)cncc2[nH]1
InChIInChI=1S/C26H22N8OS/c27-34-23(25-32-21-14-30-13-20(24(21)33-25)22-5-2-6-36-22)18-7-16(9-28-11-18)17-8-19(12-29-10-17)31-26(35)15-3-1-4-15/h2,5-15,23,27H,1,3-4H2,(H,31,35)(H,32,33)/b34-27+
InChIKeyWGVMNZZTAIGXGO-DNGXXSEMSA-N
XLogP6.00
TPSA132.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[5-[5-[diazenyl-(4-thiophen-3-yl-1H-benzimidazol-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]butanamide
CID 123215528
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137114276
N-[5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137042628
N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137033845
N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137111975
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113126
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136643374
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137110132
N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137110202
N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137056635
2-piperidin-4-yl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136947314
N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137110389

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide (CID 123729227) is N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide is [H]/N=N/C(c1cncc(-c2cncc(NC(=O)C3CCC3)c2)c1)c1nc2c(-c3cccs3)cncc2[nH]1.
What is the InChIKey of N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is WGVMNZZTAIGXGO-DNGXXSEMSA-N. The full InChI is InChI=1S/C26H22N8OS/c27-34-23(25-32-21-14-30-13-20(24(21)33-25)22-5-2-6-36-22)18-7-16(9-28-11-18)17-8-19(12-29-10-17)31-26(35)15-3-1-4-15/h2,5-15,23,27H,1,3-4H2,(H,31,35)(H,32,33)/b34-27+.
What are the key properties of N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 494.58 g/mol, XLogP of 6.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[diazenyl-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-3-pyridinyl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 123729227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).