(2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one

C21H22FN5O2 — CID 53247645

About (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one

(2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one (PubChem CID 53247645) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one.

Molecular Properties

• Compound Name: (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
• PubChem CID: 53247645
• Molecular Formula: C21H22FN5O2
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.18
• IUPAC Name: (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
• SMILES: CN1C(=O)C2(C[C@@](C)(CC3CC3)Oc3cnc(-c4cccnc4F)cc32)N=C1N
• InChI: InChI=1S/C21H22FN5O2/c1-20(9-12-5-6-12)11-21(18(28)27(2)19(23)26-21)14-8-15(25-10-16(14)29-20)13-4-3-7-24-17(13)22/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,23,26)/t20-,21?/m1/s1
• InChIKey: LAEFXUWBBOFACU-VQCQRNETSA-N
• XLogP: 2.61
• TPSA: 93.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?

The IUPAC name of (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one (CID 53247645) is (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one.

What is the SMILES notation for (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?

The canonical SMILES for (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one is CN1C(=O)C2(C[C@@](C)(CC3CC3)Oc3cnc(-c4cccnc4F)cc32)N=C1N.

What is the InChIKey of (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?

The InChIKey is LAEFXUWBBOFACU-VQCQRNETSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-20(9-12-5-6-12)11-21(18(28)27(2)19(23)26-21)14-8-15(25-10-16(14)29-20)13-4-3-7-24-17(13)22/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,23,26)/t20-,21?/m1/s1.

What are the key properties of (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?

(2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one has a molecular weight of 395.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53247645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).