(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C23H20FN5O3 — CID 118725863

IUPAC(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCOCC3)cc12
InChIInChI=1S/C23H20FN5O3/c24-21-15(2-1-5-26-21)14-3-4-18-16(10-14)23(13-31-22(25)28-23)17-11-20(27-12-19(17)32-18)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1
InChIKeyTWORUQGCJKLJAV-QHCPKHFHSA-N
MW433.44 g/mol
LogP2.81
Rot. Bonds2

About (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 118725863) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID118725863
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCOCC3)cc12
InChIInChI=1S/C23H20FN5O3/c24-21-15(2-1-5-26-21)14-3-4-18-16(10-14)23(13-31-22(25)28-23)17-11-20(27-12-19(17)32-18)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1
InChIKeyTWORUQGCJKLJAV-QHCPKHFHSA-N
XLogP2.81
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 118725863) is (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCOCC3)cc12.
What is the InChIKey of (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is TWORUQGCJKLJAV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20FN5O3/c24-21-15(2-1-5-26-21)14-3-4-18-16(10-14)23(13-31-22(25)28-23)17-11-20(27-12-19(17)32-18)29-6-8-30-9-7-29/h1-5,10-12H,6-9,13H2,(H2,25,28)/t23-/m0/s1.
What are the key properties of (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 433.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 118725863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).