VU0453595

CAT: 0127-BUP10000-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10000-02Size:5 mg

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

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CAS Number

1432436-13-9

Synonyms

VU 0453595, VU-0453595

Purity

=98%

Smiles

Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1

Chemical Information

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

CAS Number	1432436-13-9
PubChem CID	71555066
IUPAC Name	6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Molecular Formula	C18H15FN4O
Molecular Weight	322.3
XLogP	1.5
Topological Polar Surface Area	51
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	476

SMILES

CN1C=C(C=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C=CC=N4)F

InChI

InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3

InChIKey

LIZQOZALTSDKFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1432436-13-9

CID: 71555066

Formula: C18H15FN4O

MW: 322.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.3
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	322.12298928
Monoisotopic Mass	322.12298928
Topological Polar Surface Area	51 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	476
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

Catalog	Name
BUP14356-01	VU0359595

Catalog	Name
BA5490-25	VU0453595