(3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine

C24H24FN3O2 — CID 141263133

About (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine

(3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine (PubChem CID 141263133) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine.

Molecular Properties

• Compound Name: (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
• PubChem CID: 141263133
• Molecular Formula: C24H24FN3O2
• Molecular Weight: 405.47 g/mol
• Exact Mass: 405.19
• IUPAC Name: (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
• SMILES: CC(C)(F)COc1cnc2c(c1)[C@]1(C=C(N)NC1)c1cc(C#CC3CC3)ccc1O2
• InChI: InChI=1S/C24H24FN3O2/c1-23(2,25)14-29-17-10-19-22(27-12-17)30-20-8-7-16(6-5-15-3-4-15)9-18(20)24(19)11-21(26)28-13-24/h7-12,15,28H,3-4,13-14,26H2,1-2H3/t24-/m0/s1
• InChIKey: UMCQMOIPROQMLZ-DEOSSOPVSA-N
• XLogP: 3.77
• TPSA: 69.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?

The IUPAC name of (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine (CID 141263133) is (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine.

What is the SMILES notation for (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?

The canonical SMILES for (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine is CC(C)(F)COc1cnc2c(c1)[C@]1(C=C(N)NC1)c1cc(C#CC3CC3)ccc1O2.

What is the InChIKey of (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?

The InChIKey is UMCQMOIPROQMLZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-23(2,25)14-29-17-10-19-22(27-12-17)30-20-8-7-16(6-5-15-3-4-15)9-18(20)24(19)11-21(26)28-13-24/h7-12,15,28H,3-4,13-14,26H2,1-2H3/t24-/m0/s1.

What are the key properties of (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?

(3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine has a molecular weight of 405.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-7'-(2-cyclopropylethynyl)-3'-(2-fluoro-2-methylpropoxy)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine is sourced from PubChem (CID 141263133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).