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

C23H13ClFN5O2 — CID 87127198

IUPAC3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine
SMILESNC1=Nc2cccnc2C2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-17-6-5-12(13-3-1-8-28-21(13)25)9-14(17)23(15)20-16(4-2-7-27-20)30-22(26)32-23/h1-11H,(H2,26,30)
InChIKeyJYHBFTYXZXZYMH-UHFFFAOYSA-N
MW445.84 g/mol
LogP4.71
Rot. Bonds1

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

3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine (PubChem CID 87127198) 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[3,2-d][1,3]oxazine]-2'-amine.

Molecular Properties

Compound Name3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine
PubChem CID87127198
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[3,2-d][1,3]oxazine]-2'-amine
SMILESNC1=Nc2cccnc2C2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-17-6-5-12(13-3-1-8-28-21(13)25)9-14(17)23(15)20-16(4-2-7-27-20)30-22(26)32-23/h1-11H,(H2,26,30)
InChIKeyJYHBFTYXZXZYMH-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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

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
(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-(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
(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
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
(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
2'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-iodospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466183
(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67382987
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
(2R)-2'-(2-fluoro-3-pyridinyl)-7'-(2-fluoro-4-pyridinyl)spiro[morpholine-6,9'-xanthene]-2-amine
CID 67382799

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[3,2-d][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[3,2-d][1,3]oxazine]-2'-amine (CID 87127198) is 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][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[3,2-d][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[3,2-d][1,3]oxazine]-2'-amine is NC1=Nc2cccnc2C2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(Cl)cc12.
What is the InChIKey of 3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine?
The InChIKey is JYHBFTYXZXZYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClFN5O2/c24-19-10-15-18(11-29-19)31-17-6-5-12(13-3-1-8-28-21(13)25)9-14(17)23(15)20-16(4-2-7-27-20)30-22(26)32-23/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[3,2-d][1,3]oxazine]-2'-amine?
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine has a molecular weight of 445.84 g/mol, XLogP of 4.71, 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[3,2-d][1,3]oxazine]-2'-amine is sourced from PubChem (CID 87127198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).