(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine

C26H23ClFN3O2 — CID 141263103

IUPAC(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
SMILESNC1=C[C@]2(CN1)c1cc(-c3cc(Cl)ccc3F)ccc1Oc1ncc(C3CCOCC3)cc12
InChIInChI=1S/C26H23ClFN3O2/c27-18-2-3-22(28)19(11-18)16-1-4-23-20(9-16)26(12-24(29)31-14-26)21-10-17(13-30-25(21)33-23)15-5-7-32-8-6-15/h1-4,9-13,15,31H,5-8,14,29H2/t26-/m0/s1
InChIKeySOQODAVVNFFKQC-SANMLTNESA-N
MW463.94 g/mol
LogP5.23
Rot. Bonds2

About (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine

(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine (PubChem CID 141263103) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine.

Molecular Properties

Compound Name(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
PubChem CID141263103
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC Name(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine
SMILESNC1=C[C@]2(CN1)c1cc(-c3cc(Cl)ccc3F)ccc1Oc1ncc(C3CCOCC3)cc12
InChIInChI=1S/C26H23ClFN3O2/c27-18-2-3-22(28)19(11-18)16-1-4-23-20(9-16)26(12-24(29)31-14-26)21-10-17(13-30-25(21)33-23)15-5-7-32-8-6-15/h1-4,9-13,15,31H,5-8,14,29H2/t26-/m0/s1
InChIKeySOQODAVVNFFKQC-SANMLTNESA-N
XLogP5.23
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?
The IUPAC name of (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine (CID 141263103) is (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine.
What is the SMILES notation for (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?
The canonical SMILES for (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine is NC1=C[C@]2(CN1)c1cc(-c3cc(Cl)ccc3F)ccc1Oc1ncc(C3CCOCC3)cc12.
What is the InChIKey of (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?
The InChIKey is SOQODAVVNFFKQC-SANMLTNESA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c27-18-2-3-22(28)19(11-18)16-1-4-23-20(9-16)26(12-24(29)31-14-26)21-10-17(13-30-25(21)33-23)15-5-7-32-8-6-15/h1-4,9-13,15,31H,5-8,14,29H2/t26-/m0/s1.
What are the key properties of (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine?
(3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine has a molecular weight of 463.94 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7'-(5-chloro-2-fluorophenyl)-3'-(oxan-4-yl)spiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-b]pyridine]-5-amine is sourced from PubChem (CID 141263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).