(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C25H16F2N4O2 — CID 58466122

IUPAC(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(-c2ccccc2)nc1F
InChIInChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1
InChIKeyOKKAKGFUYCJYOI-VWLOTQADSA-N
MW442.43 g/mol
LogP4.78
Rot. Bonds2

About (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58466122) has the molecular formula C25H16F2N4O2 and a molecular weight of 442.43 g/mol. Its IUPAC name is (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58466122
Molecular FormulaC25H16F2N4O2
Molecular Weight442.43 g/mol
Exact Mass442.12
IUPAC Name(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(-c2ccccc2)nc1F
InChIInChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1
InChIKeyOKKAKGFUYCJYOI-VWLOTQADSA-N
XLogP4.78
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-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 (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58466122) is (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(-c2ccccc2)nc1F.
What is the InChIKey of (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is OKKAKGFUYCJYOI-VWLOTQADSA-N. The full InChI is InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1.
What are the key properties of (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 442.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58466122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).