3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine

C23H13ClFN5O2 — CID 56654479

IUPAC3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine
SMILESNC1=NC2(c3cc(-c4cccnc4F)ccc3Oc3cnc(Cl)cc32)c2ncccc2O1
InChIInChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-16-6-5-12(13-3-1-8-28-21(13)25)9-14(16)23(15)20-17(4-2-7-27-20)32-22(26)30-23/h1-11H,(H2,26,30)
InChIKeyLJROZOQURIBJPP-UHFFFAOYSA-N
MW445.84 g/mol
LogP4.44
Rot. Bonds1

About 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine

3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine (PubChem CID 56654479) has the molecular formula C23H13ClFN5O2 and a molecular weight of 445.84 g/mol. Its IUPAC name is 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine.

Molecular Properties

Compound Name3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine
PubChem CID56654479
Molecular FormulaC23H13ClFN5O2
Molecular Weight445.84 g/mol
Exact Mass445.07
IUPAC Name3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine
SMILESNC1=NC2(c3cc(-c4cccnc4F)ccc3Oc3cnc(Cl)cc32)c2ncccc2O1
InChIInChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-16-6-5-12(13-3-1-8-28-21(13)25)9-14(16)23(15)20-17(4-2-7-27-20)32-22(26)30-23/h1-11H,(H2,26,30)
InChIKeyLJROZOQURIBJPP-UHFFFAOYSA-N
XLogP4.44
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.84
LogP ≤ 54.44
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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Related Compounds

(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine
CID 87127198
3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol
CID 67383486
3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241023
7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383033
(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
CID 56654138
(5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,5'-pyrrole]-2'-amine
CID 141352076
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyrimidin-2-ylspiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466117
(5R)-1-fluoro-7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56653077
2'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-iodospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466183
2'-(2-chloro-3-pyridinyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 87503806
3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 53390733

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine?
The IUPAC name of 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine (CID 56654479) is 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine.
What is the SMILES notation for 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine?
The canonical SMILES for 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine is NC1=NC2(c3cc(-c4cccnc4F)ccc3Oc3cnc(Cl)cc32)c2ncccc2O1.
What is the InChIKey of 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine?
The InChIKey is LJROZOQURIBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-16-6-5-12(13-3-1-8-28-21(13)25)9-14(16)23(15)20-17(4-2-7-27-20)32-22(26)30-23/h1-11H,(H2,26,30).
What are the key properties of 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine?
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine has a molecular weight of 445.84 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine is sourced from PubChem (CID 56654479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).