(4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

C25H18F2N4O3 — CID 67383475

About (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

(4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 67383475) has the molecular formula C25H18F2N4O3 and a molecular weight of 460.44 g/mol. Its IUPAC name is (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

• Compound Name: (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
• PubChem CID: 67383475
• Molecular Formula: C25H18F2N4O3
• Molecular Weight: 460.44 g/mol
• Exact Mass: 460.13
• IUPAC Name: (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
• SMILES: CC1(C#Cc2cnc3c(c2)[C@@]2(COC(N)=N2)c2cc(-c4cccnc4F)c(F)cc2O3)COC1
• InChI: InChI=1S/C25H18F2N4O3/c1-24(11-32-12-24)5-4-14-7-18-22(30-10-14)34-20-9-19(26)16(15-3-2-6-29-21(15)27)8-17(20)25(18)13-33-23(28)31-25/h2-3,6-10H,11-13H2,1H3,(H2,28,31)/t25-/m1/s1
• InChIKey: VILCWPRJSJVTCR-RUZDIDTESA-N
• XLogP: 3.50
• TPSA: 91.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?

The IUPAC name of (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (CID 67383475) is (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.

What is the SMILES notation for (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?

The canonical SMILES for (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is CC1(C#Cc2cnc3c(c2)[C@@]2(COC(N)=N2)c2cc(-c4cccnc4F)c(F)cc2O3)COC1.

What is the InChIKey of (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?

The InChIKey is VILCWPRJSJVTCR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H18F2N4O3/c1-24(11-32-12-24)5-4-14-7-18-22(30-10-14)34-20-9-19(26)16(15-3-2-6-29-21(15)27)8-17(20)25(18)13-33-23(28)31-25/h2-3,6-10H,11-13H2,1H3,(H2,28,31)/t25-/m1/s1.

What are the key properties of (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?

(4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 460.44 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 67383475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).