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

C24H20F3N5O2 — CID 53464945

IUPAC(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1
InChIKeyUSDXESLWXNWPPR-DEOSSOPVSA-N
MW467.45 g/mol
LogP4.21
Rot. Bonds2

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

(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 53464945) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is (4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-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)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID53464945
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12
InChIInChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1
InChIKeyUSDXESLWXNWPPR-DEOSSOPVSA-N
XLogP4.21
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.21
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)-7'-(2-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

Related Compounds

Amg-8718
CID 45254510
(4s)-2'-(3,6-Dihydro-2h-Pyran-4-Yl)-4'-Fluoro-7'-(2-Fluoropyridin-3-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45254900
(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
(5s)-7-(2-Fluoropyridin-3-Yl)-3-(2-Fluoropyridin-4-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 58466119
example 385 [US8883782]
CID 67436561
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(5-prop-1-ynyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 137348743
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254127
(4S)-3'-(2,2-dimethylpropoxy)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 45254130
(S)-3-(3,3-difluoropyrrolidin-1-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 53464257
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464567
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464571
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464882

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-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)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 53464945) is (4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-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)-7'-(2-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)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(N3CCC(F)(F)CC3)cc12.
What is the InChIKey of (4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is USDXESLWXNWPPR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1.
What are the key properties of (4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 467.45 g/mol, XLogP of 4.21, 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)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 53464945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).