EPZ033294

CAT: 0127-BUP03338-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03338-02Size:10 mg

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CAS Number

1887195-17-6

Purity

=98%

Smiles

C(NC1CN(CC2=CN(CC3=CC=C(Cl)C=C3)N=C2)C1)(=O)C4=CN(N=N4)C5CC5

Chemical Information

N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide

CAS Number	1887195-17-6
PubChem CID	118946416
IUPAC Name	N-[1-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]azetidin-3-yl]-1-cyclopropyltriazole-4-carboxamide
Molecular Formula	C20H22ClN7O
Molecular Weight	411.9
XLogP	1.7
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	577

SMILES

C1CC1N2C=C(N=N2)C(=O)NC3CN(C3)CC4=CN(N=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)

InChIKey

MOWCUCXGYVJUHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1887195-17-6

CID: 118946416

Formula: C20H22ClN7O

MW: 411.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	411.9
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	411.1574360
Monoisotopic Mass	411.1574360
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	577
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
T70086-01	EPZ033294

EPZ033294

Chemical Information

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