(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

C25H19FN4O2 — CID 141352076

IUPAC(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
SMILESNC1=N[C@@]2(C=C1)c1cc(-c3cccnc3F)ccc1Oc1cnc(C3=CCOCC3)cc12
InChIInChI=1S/C25H19FN4O2/c26-24-17(2-1-9-28-24)16-3-4-21-18(12-16)25(8-5-23(27)30-25)19-13-20(29-14-22(19)32-21)15-6-10-31-11-7-15/h1-6,8-9,12-14H,7,10-11H2,(H2,27,30)/t25-/m0/s1
InChIKeyNUWAKWBKFCVWLW-VWLOTQADSA-N
MW426.45 g/mol
LogP4.36
Rot. Bonds2

About (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

(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 (PubChem CID 141352076) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141352076
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name(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
SMILESNC1=N[C@@]2(C=C1)c1cc(-c3cccnc3F)ccc1Oc1cnc(C3=CCOCC3)cc12
InChIInChI=1S/C25H19FN4O2/c26-24-17(2-1-9-28-24)16-3-4-21-18(12-16)25(8-5-23(27)30-25)19-13-20(29-14-22(19)32-21)15-6-10-31-11-7-15/h1-6,8-9,12-14H,7,10-11H2,(H2,27,30)/t25-/m0/s1
InChIKeyNUWAKWBKFCVWLW-VWLOTQADSA-N
XLogP4.36
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-5-methyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254701
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-2-amine;(4S)-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 160706081
3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluoro-6'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,10'-9H-anthracene]-2-amine
CID 53391070
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
3-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]benzonitrile
CID 53464564
(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[2,3-e][1,3]oxazine]-2'-amine
CID 56654479
(5S)-3-(3,6-dihydro-2H-pyran-5-yl)-1-fluoro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 66728324
(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
(5S)-3'-(3,6-dihydro-2H-pyran-5-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
CID 58465892

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is NC1=N[C@@]2(C=C1)c1cc(-c3cccnc3F)ccc1Oc1cnc(C3=CCOCC3)cc12.
What is the InChIKey of (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?
The InChIKey is NUWAKWBKFCVWLW-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19FN4O2/c26-24-17(2-1-9-28-24)16-3-4-21-18(12-16)25(8-5-23(27)30-25)19-13-20(29-14-22(19)32-21)15-6-10-31-11-7-15/h1-6,8-9,12-14H,7,10-11H2,(H2,27,30)/t25-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 426.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 141352076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).