1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C24H16FN5O2 — CID 67241930

IUPAC1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1c2cc(-c2cccnc2)nc1F
InChIInChI=1S/C24H16FN5O2/c25-22-21-18(10-19(29-22)16-4-2-8-28-12-16)24(13-31-23(26)30-24)17-9-14(5-6-20(17)32-21)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)
InChIKeyFBRLVMGZYOXUGP-UHFFFAOYSA-N
MW425.42 g/mol
LogP4.04
Rot. Bonds2

About 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 67241930) has the molecular formula C24H16FN5O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID67241930
Molecular FormulaC24H16FN5O2
Molecular Weight425.42 g/mol
Exact Mass425.13
IUPAC Name1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1c2cc(-c2cccnc2)nc1F
InChIInChI=1S/C24H16FN5O2/c25-22-21-18(10-19(29-22)16-4-2-8-28-12-16)24(13-31-23(26)30-24)17-9-14(5-6-20(17)32-21)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)
InChIKeyFBRLVMGZYOXUGP-UHFFFAOYSA-N
XLogP4.04
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 67241930) is 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1c2cc(-c2cccnc2)nc1F.
What is the InChIKey of 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is FBRLVMGZYOXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O2/c25-22-21-18(10-19(29-22)16-4-2-8-28-12-16)24(13-31-23(26)30-24)17-9-14(5-6-20(17)32-21)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30).
What are the key properties of 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 425.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 67241930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).