KDU691

CAT: 0926-NKC87919-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-NKC87919-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1513879-19-0

MDL Number

MFCD28963927

Smiles

CNC (=O) C1=CC=C (C=C1) C2=CN=C3N2C=C (N=C3) C (=O) N (C) C4=CC=C (C=C4) Cl

Molecular Formula

C22H18ClN5O2

Molecular Weight

419.86 g/mol

Controlled

Chemical Information

N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

CAS Number	1513879-19-0
PubChem CID	90157166
IUPAC Name	N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
Molecular Formula	C22H18ClN5O2
Molecular Weight	419.9
XLogP	3.6
Topological Polar Surface Area	79.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	619

SMILES

CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C(=O)N(C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)

InChIKey

TYMFFISSODJRDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1513879-19-0

CID: 90157166

Formula: C22H18ClN5O2

MW: 419.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	419.9
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	419.1149025
Monoisotopic Mass	419.1149025
Topological Polar Surface Area	79.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	619
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