(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

C25H16F3N5O2 — CID 58465967

IUPAC(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CCO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(-c2ccnc(F)c2)nc1F
InChIInChI=1S/C25H16F3N5O2/c26-16-7-15(11-30-12-16)13-1-2-20-17(8-13)25(4-6-34-24(29)33-25)18-10-19(32-23(28)22(18)35-20)14-3-5-31-21(27)9-14/h1-3,5,7-12H,4,6H2,(H2,29,33)/t25-/m0/s1
InChIKeyUEFHCAWAFXBEQX-VWLOTQADSA-N
MW475.43 g/mol
LogP4.71
Rot. Bonds2

About (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58465967) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58465967
Molecular FormulaC25H16F3N5O2
Molecular Weight475.43 g/mol
Exact Mass475.13
IUPAC Name(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CCO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(-c2ccnc(F)c2)nc1F
InChIInChI=1S/C25H16F3N5O2/c26-16-7-15(11-30-12-16)13-1-2-20-17(8-13)25(4-6-34-24(29)33-25)18-10-19(32-23(28)22(18)35-20)14-3-5-31-21(27)9-14/h1-3,5,7-12H,4,6H2,(H2,29,33)/t25-/m0/s1
InChIKeyUEFHCAWAFXBEQX-VWLOTQADSA-N
XLogP4.71
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58465967) is (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=N[C@@]2(CCO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(-c2ccnc(F)c2)nc1F.
What is the InChIKey of (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is UEFHCAWAFXBEQX-VWLOTQADSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c26-16-7-15(11-30-12-16)13-1-2-20-17(8-13)25(4-6-34-24(29)33-25)18-10-19(32-23(28)22(18)35-20)14-3-5-31-21(27)9-14/h1-3,5,7-12H,4,6H2,(H2,29,33)/t25-/m0/s1.
What are the key properties of (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 475.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58465967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).