(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine

C25H24N4O2 — CID 123427792

IUPAC(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine
SMILESCC(C)(C)C=Cc1ccc2c(n1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2
InChIInChI=1S/C25H24N4O2/c1-24(2,3)11-10-18-7-9-21-22(28-18)25(15-30-23(26)29-25)19-13-16(6-8-20(19)31-21)17-5-4-12-27-14-17/h4-14H,15H2,1-3H3,(H2,26,29)/t25-/m0/s1
InChIKeyAMWVLFPWBQQVJA-VWLOTQADSA-N
MW412.49 g/mol
LogP4.90
Rot. Bonds2

About (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine

(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine (PubChem CID 123427792) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine
PubChem CID123427792
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine
SMILESCC(C)(C)C=Cc1ccc2c(n1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2
InChIInChI=1S/C25H24N4O2/c1-24(2,3)11-10-18-7-9-21-22(28-18)25(15-30-23(26)29-25)19-13-16(6-8-20(19)31-21)17-5-4-12-27-14-17/h4-14H,15H2,1-3H3,(H2,26,29)/t25-/m0/s1
InChIKeyAMWVLFPWBQQVJA-VWLOTQADSA-N
XLogP4.90
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 59272337
3'-[(E)-3,3-dimethylbut-1-enyl]-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67246969
(4S)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466160
2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67243376
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241930
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-b]pyridine]-2-amine
CID 67242239
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466307
4-[(4S)-2-amino-2'-[(3-methyloxetan-3-yl)methoxy]-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-1'-yl]-2-methylbut-3-yn-2-ol
CID 58466143
(4S)-2-amino-2'-(2,2-dimethylpropoxy)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-1'-carbonitrile;(4S)-1'-bromo-2'-(2,2-dimethylpropoxy)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 157057336
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
7'-(6-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67437158

Frequently Asked Questions

What is the IUPAC name of (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine?
The IUPAC name of (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) is (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine.
What is the SMILES notation for (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine?
The canonical SMILES for (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine is CC(C)(C)C=Cc1ccc2c(n1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2.
What is the InChIKey of (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine?
The InChIKey is AMWVLFPWBQQVJA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-24(2,3)11-10-18-7-9-21-22(28-18)25(15-30-23(26)29-25)19-13-16(6-8-20(19)31-21)17-5-4-12-27-14-17/h4-14H,15H2,1-3H3,(H2,26,29)/t25-/m0/s1.
What are the key properties of (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine?
(4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine has a molecular weight of 412.49 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2'-(3,3-dimethylbut-1-enyl)-8'-pyridin-3-ylspiro[5H-1,3-oxazole-4,10'-chromeno[3,2-b]pyridine]-2-amine is sourced from PubChem (CID 123427792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).