3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C23H19F2N5O2 — CID 67436461

IUPAC3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1cnc(N3CCC(F)(F)C3)cc12
InChIInChI=1S/C23H19F2N5O2/c24-22(25)5-7-30(12-22)20-9-17-19(11-28-20)32-18-4-3-14(15-2-1-6-27-10-15)8-16(18)23(17)13-31-21(26)29-23/h1-4,6,8-11H,5,7,12-13H2,(H2,26,29)
InChIKeyZUHVUWVXPAUMJW-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.68
Rot. Bonds2

About 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 67436461) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID67436461
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1cnc(N3CCC(F)(F)C3)cc12
InChIInChI=1S/C23H19F2N5O2/c24-22(25)5-7-30(12-22)20-9-17-19(11-28-20)32-18-4-3-14(15-2-1-6-27-10-15)8-16(18)23(17)13-31-21(26)29-23/h1-4,6,8-11H,5,7,12-13H2,(H2,26,29)
InChIKeyZUHVUWVXPAUMJW-UHFFFAOYSA-N
XLogP3.68
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466160
(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 59272337
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241930
7'-(6-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67437158
1-(2-amino-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl)oxy-2-methylbutan-2-ol
CID 67437483
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466307
(4S)-3'-(2-methylbutylsulfanyl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466179
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine
CID 123427792
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
CID 58466141
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67242239
1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 68577336

Frequently Asked Questions

What is the IUPAC name of 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 67436461) is 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NC2(CO1)c1cc(-c3cccnc3)ccc1Oc1cnc(N3CCC(F)(F)C3)cc12.
What is the InChIKey of 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is ZUHVUWVXPAUMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-22(25)5-7-30(12-22)20-9-17-19(11-28-20)32-18-4-3-14(15-2-1-6-27-10-15)8-16(18)23(17)13-31-21(26)29-23/h1-4,6,8-11H,5,7,12-13H2,(H2,26,29).
What are the key properties of 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 435.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3,3-difluoropyrrolidin-1-yl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 67436461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).