(4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C22H23FN4O3 — CID 134715979

About (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

(4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 134715979) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 134715979
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=C1\Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@H](c2ccccc2F)C1C#N
• InChI: InChI=1S/C22H23FN4O3/c1-14-12-18-20(22(28)27(14)7-6-26-8-10-29-11-9-26)19(16(13-24)21(25)30-18)15-4-2-3-5-17(15)23/h2-5,12,16,19,25H,6-11H2,1H3/b25-21-/t16?,19-/m1/s1
• InChIKey: PQDKNBBYOUUISI-MXDDCUGNSA-N
• XLogP: 2.27
• TPSA: 91.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 134715979) is (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=C1\Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@H](c2ccccc2F)C1C#N.

What is the InChIKey of (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is PQDKNBBYOUUISI-MXDDCUGNSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-12-18-20(22(28)27(14)7-6-26-8-10-29-11-9-26)19(16(13-24)21(25)30-18)15-4-2-3-5-17(15)23/h2-5,12,16,19,25H,6-11H2,1H3/b25-21-/t16?,19-/m1/s1.

What are the key properties of (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

(4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 410.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 134715979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).