N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C26H28FN7O2 — CID 171522710

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESCOCCn1c(CCNCCc2nc3c(NCc4ncccc4F)nccc3o2)nc2ccccc21
InChIInChI=1S/C26H28FN7O2/c1-35-16-15-34-21-7-3-2-6-19(21)32-23(34)9-12-28-13-10-24-33-25-22(36-24)8-14-30-26(25)31-17-20-18(27)5-4-11-29-20/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3,(H,30,31)
InChIKeyKSUQQVYGAWSARF-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.74
Rot. Bonds12

About N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 171522710) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID171522710
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESCOCCn1c(CCNCCc2nc3c(NCc4ncccc4F)nccc3o2)nc2ccccc21
InChIInChI=1S/C26H28FN7O2/c1-35-16-15-34-21-7-3-2-6-19(21)32-23(34)9-12-28-13-10-24-33-25-22(36-24)8-14-30-26(25)31-17-20-18(27)5-4-11-29-20/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3,(H,30,31)
InChIKeyKSUQQVYGAWSARF-UHFFFAOYSA-N
XLogP3.74
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine with MolForge

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Related Compounds

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 171522700
2-[2-[2-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 171522679
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16989987
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
N-[3-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983044

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 171522710) is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is COCCn1c(CCNCCc2nc3c(NCc4ncccc4F)nccc3o2)nc2ccccc21.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is KSUQQVYGAWSARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-35-16-15-34-21-7-3-2-6-19(21)32-23(34)9-12-28-13-10-24-33-25-22(36-24)8-14-30-26(25)31-17-20-18(27)5-4-11-29-20/h2-8,11,14,28H,9-10,12-13,15-17H2,1H3,(H,30,31).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 489.56 g/mol, XLogP of 3.74, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 171522710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).