(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

C25H25FN4O3 — CID 67382700

IUPAC(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cncc(F)c3)cc1[C@@]21C=NCC(N)O1
InChIInChI=1S/C25H25FN4O3/c1-24(2,3)14-31-23-8-19-21(11-30-23)32-20-5-4-15(16-6-17(26)10-28-9-16)7-18(20)25(19)13-29-12-22(27)33-25/h4-11,13,22H,12,14,27H2,1-3H3/t22?,25-/m0/s1
InChIKeyHXLNSKNAEFUVFK-TUXUZCGSSA-N
MW448.50 g/mol
LogP4.44
Rot. Bonds3

About (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine

(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 67382700) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID67382700
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cncc(F)c3)cc1[C@@]21C=NCC(N)O1
InChIInChI=1S/C25H25FN4O3/c1-24(2,3)14-31-23-8-19-21(11-30-23)32-20-5-4-15(16-6-17(26)10-28-9-16)7-18(20)25(19)13-29-12-22(27)33-25/h4-11,13,22H,12,14,27H2,1-3H3/t22?,25-/m0/s1
InChIKeyHXLNSKNAEFUVFK-TUXUZCGSSA-N
XLogP4.44
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (CID 67382700) is (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is CC(C)(C)COc1cc2c(cn1)Oc1ccc(-c3cncc(F)c3)cc1[C@@]21C=NCC(N)O1.
What is the InChIKey of (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is HXLNSKNAEFUVFK-TUXUZCGSSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-24(2,3)14-31-23-8-19-21(11-30-23)32-20-5-4-15(16-6-17(26)10-28-9-16)7-18(20)25(19)13-29-12-22(27)33-25/h4-11,13,22H,12,14,27H2,1-3H3/t22?,25-/m0/s1.
What are the key properties of (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine?
(6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 448.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3'-(2,2-dimethylpropoxy)-7'-(5-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 67382700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).