(5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

C157H131F6N25O14 — CID 157337952

About (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

(5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine (PubChem CID 157337952) has the molecular formula C157H131F6N25O14 and a molecular weight of 2705.92 g/mol. Its IUPAC name is (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine.

Molecular Properties

• Compound Name: (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
• PubChem CID: 157337952
• Molecular Formula: C157H131F6N25O14
• Molecular Weight: 2705.92 g/mol
• Exact Mass: 2704.02
• IUPAC Name: (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
• SMILES: CC(C)(C)C#Cc1cnc2c(c1)[C@]1(COCC(N)=N1)c1cc(-c3cccnc3F)ccc1O2.CC1(C#Cc2cnc3c(c2)[C@@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1.CC1(C#Cc2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1.C[C@@H]1CCN(c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)C1.Cc1ccc(-c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1.Cc1ccc(-c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1
• InChI: InChI=1S/2C27H21FN4O2.2C26H21FN4O3.C26H23FN4O2.C25H24FN5O2/c2*1-16-4-6-17(7-5-16)19-12-22-26(31-13-19)34-23-9-8-18(20-3-2-10-30-25(20)28)11-21(23)27(22)15-33-14-24(29)32-27;2*1-25(13-33-14-25)7-6-16-9-20-24(30-11-16)34-21-5-4-17(18-3-2-8-29-23(18)27)10-19(21)26(20)15-32-12-22(28)31-26;1-25(2,3)9-8-16-11-20-24(30-13-16)33-21-7-6-17(18-5-4-10-29-23(18)27)12-19(21)26(20)15-32-14-22(28)31-26;1-15-6-8-31(12-15)17-10-20-24(29-11-17)33-21-5-4-16(18-3-2-7-28-23(18)26)9-19(21)25(20)14-32-13-22(27)30-25/h2*2-13H,14-15H2,1H3,(H2,29,32);2*2-5,8-11H,12-15H2,1H3,(H2,28,31);4-7,10-13H,14-15H2,1-3H3,(H2,28,31);2-5,7,9-11,15H,6,8,12-14H2,1H3,(H2,27,30)/t2*27-;3*26-;15-,25+/m001001/s1
• InChIKey: BGBGHIZNEUSTHE-IDKKDGGCSA-N
• XLogP: 25.09
• TPSA: 517.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 9
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2705.92
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?

The IUPAC name of (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine (CID 157337952) is (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine.

What is the SMILES notation for (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?

The canonical SMILES for (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine is CC(C)(C)C#Cc1cnc2c(c1)[C@]1(COCC(N)=N1)c1cc(-c3cccnc3F)ccc1O2.CC1(C#Cc2cnc3c(c2)[C@@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1.CC1(C#Cc2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1.C[C@@H]1CCN(c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)C1.Cc1ccc(-c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1.Cc1ccc(-c2cnc3c(c2)[C@]2(COCC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)cc1.

What is the InChIKey of (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?

The InChIKey is BGBGHIZNEUSTHE-IDKKDGGCSA-N. The full InChI is InChI=1S/2C27H21FN4O2.2C26H21FN4O3.C26H23FN4O2.C25H24FN5O2/c2*1-16-4-6-17(7-5-16)19-12-22-26(31-13-19)34-23-9-8-18(20-3-2-10-30-25(20)28)11-21(23)27(22)15-33-14-24(29)32-27;2*1-25(13-33-14-25)7-6-16-9-20-24(30-11-16)34-21-5-4-17(18-3-2-8-29-23(18)27)10-19(21)26(20)15-32-12-22(28)31-26;1-25(2,3)9-8-16-11-20-24(30-13-16)33-21-7-6-17(18-5-4-10-29-23(18)27)12-19(21)26(20)15-32-14-22(28)31-26;1-15-6-8-31(12-15)17-10-20-24(29-11-17)33-21-5-4-16(18-3-2-7-28-23(18)26)9-19(21)25(20)14-32-13-22(27)30-25/h2*2-13H,14-15H2,1H3,(H2,29,32);2*2-5,8-11H,12-15H2,1H3,(H2,28,31);4-7,10-13H,14-15H2,1-3H3,(H2,28,31);2-5,7,9-11,15H,6,8,12-14H2,1H3,(H2,27,30)/t2*27-;3*26-;15-,25+/m001001/s1.

What are the key properties of (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?

(5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine has a molecular weight of 2705.92 g/mol, XLogP of 25.09, 9 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3'-(3,3-dimethylbut-1-ynyl)-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;(5R)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bis((5S)-7'-(2-fluoro-3-pyridinyl)-3'-(4-methylphenyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine);(5S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-methylpyrrolidin-1-yl]spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine is sourced from PubChem (CID 157337952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).