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

C23H26FN7O — CID 146662371

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

2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 146662371) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
• PubChem CID: 146662371
• Molecular Formula: C23H26FN7O
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.22
• IUPAC Name: 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
• SMILES: Fc1cccnc1CNc1nccc2oc(CCNCCc3ncc(CC4CC4)[nH]3)nc12
• InChI: InChI=1S/C23H26FN7O/c24-17-2-1-8-26-18(17)14-29-23-22-19(5-11-27-23)32-21(31-22)7-10-25-9-6-20-28-13-16(30-20)12-15-3-4-15/h1-2,5,8,11,13,15,25H,3-4,6-7,9-10,12,14H2,(H,27,29)(H,28,30)
• InChIKey: CKRGGLMQGJUGBJ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 104.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?

The IUPAC name of 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 146662371) is 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?

The canonical SMILES for 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is Fc1cccnc1CNc1nccc2oc(CCNCCc3ncc(CC4CC4)[nH]3)nc12.

What is the InChIKey of 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?

The InChIKey is CKRGGLMQGJUGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c24-17-2-1-8-26-18(17)14-29-23-22-19(5-11-27-23)32-21(31-22)7-10-25-9-6-20-28-13-16(30-20)12-15-3-4-15/h1-2,5,8,11,13,15,25H,3-4,6-7,9-10,12,14H2,(H,27,29)(H,28,30).

What are the key properties of 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?

2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 435.51 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[5-(cyclopropylmethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 146662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).