G1672

CAT: 0013-GTR19208634-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208634-02Size:50 mg

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Description

G1672

CAS Number

1800397-42-5

Smiles

Cc1ccc (NC (=O) c2ccnc (c2) C (F) (F) F) cc1-c1cc (nc (c1) N1CCOCC1) N1CC (O) C1

Molecular Formula

C26H26F3N5O3

Molecular Weight

513.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

N-(3-(2-(3-hydroxyazetidin-1-yl)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide

CAS Number	1800397-42-5
PubChem CID	90460502
IUPAC Name	N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
Molecular Formula	C26H26F3N5O3
Molecular Weight	513.5
XLogP	3.2
Topological Polar Surface Area	90.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	777

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)N4CC(C4)O)N5CCOCC5

InChI

InChI=1S/C26H26F3N5O3/c1-16-2-3-19(31-25(36)17-4-5-30-22(10-17)26(27,28)29)13-21(16)18-11-23(33-6-8-37-9-7-33)32-24(12-18)34-14-20(35)15-34/h2-5,10-13,20,35H,6-9,14-15H2,1H3,(H,31,36)

InChIKey

DGZXTVVVWSSJAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1800397-42-5

CID: 90460502

Formula: C26H26F3N5O3

MW: 513.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	513.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	513.19877419
Monoisotopic Mass	513.19877419
Topological Polar Surface Area	90.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	777
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T71914-01	G1672

G1672

Chemical Information

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