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

C24H19F4N5O2 — CID 53464568

IUPAC(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(N2CCC(F)(F)CC2)nc1F
InChIInChI=1S/C24H19F4N5O2/c25-15-7-14(10-30-11-15)13-1-2-18-16(8-13)24(12-34-22(29)32-24)17-9-19(31-21(26)20(17)35-18)33-5-3-23(27,28)4-6-33/h1-2,7-11H,3-6,12H2,(H2,29,32)/t24-/m0/s1
InChIKeyFNQYVPMEQKVYMN-DEOSSOPVSA-N
MW485.44 g/mol
LogP4.35
Rot. Bonds2

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

(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 53464568) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID53464568
Molecular FormulaC24H19F4N5O2
Molecular Weight485.44 g/mol
Exact Mass485.15
IUPAC Name(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(N2CCC(F)(F)CC2)nc1F
InChIInChI=1S/C24H19F4N5O2/c25-15-7-14(10-30-11-15)13-1-2-18-16(8-13)24(12-34-22(29)32-24)17-9-19(31-21(26)20(17)35-18)33-5-3-23(27,28)4-6-33/h1-2,7-11H,3-6,12H2,(H2,29,32)/t24-/m0/s1
InChIKeyFNQYVPMEQKVYMN-DEOSSOPVSA-N
XLogP4.35
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 53464568) is (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1Oc1c2cc(N2CCC(F)(F)CC2)nc1F.
What is the InChIKey of (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is FNQYVPMEQKVYMN-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c25-15-7-14(10-30-11-15)13-1-2-18-16(8-13)24(12-34-22(29)32-24)17-9-19(31-21(26)20(17)35-18)33-5-3-23(27,28)4-6-33/h1-2,7-11H,3-6,12H2,(H2,29,32)/t24-/m0/s1.
What are the key properties of (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 485.44 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(5-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 53464568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).