Olprinone

CAT: 0127-BUP10377-05Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10377-05Size:200 mg

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CAS Number

106730-54-5

Synonyms

Loprinone

Purity

=98%

Smiles

Cc1[nH]c(=O)c(cc1-c1ccc2nccn2c1)C#N

Chemical Information

Olprinone

Olprinone is a member of bipyridines.

CAS Number	106730-54-5
PubChem CID	4593
IUPAC Name	5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Molecular Formula	C14H10N4O
Molecular Weight	250.25
XLogP	1.5
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	525

SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2

InChI

InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)

InChIKey

JPAWFIIYTJQOKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106730-54-5

CID: 4593

Formula: C14H10N4O

MW: 250.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.25
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	250.08546096
Monoisotopic Mass	250.08546096
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	525
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