LP-935509

CAT: 0127-BUP04287-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04287-03Size:10 mg

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

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CAS Number

1454555-29-3

Purity

=98%

Smiles

COc1ncccc1-c1cnn2ccc(nc12)N1CCN(CC1)C(=O)OC(C)C

Chemical Information

4-[3-(2-Methoxy-pyridin-3-yl)-pyrazolo[1,5-a]pyrimidin-5-yl]-piperazine-1-carboxylic acid isopropyl ester

CAS Number	1454555-29-3
PubChem CID	86697436
IUPAC Name	propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
Molecular Formula	C20H24N6O3
Molecular Weight	396.4
XLogP	2.1
Topological Polar Surface Area	85.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	556

SMILES

CC(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=NN3C=C2)C4=C(N=CC=C4)OC

InChI

InChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)17-6-8-26-18(23-17)16(13-22-26)15-5-4-7-21-19(15)28-3/h4-8,13-14H,9-12H2,1-3H3

InChIKey

GOOYSJIWTIHOGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1454555-29-3

CID: 86697436

Formula: C20H24N6O3

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	396.19098865
Monoisotopic Mass	396.19098865
Topological Polar Surface Area	85.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	556
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