BDP5290

CAT: 0127-BUP03592-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03592-02Size:5 mg

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

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CAS Number

1817698-21-7

Purity

=95%

Smiles

Clc1cn(nc1C(=O)Nc1c[nH]nc1-c1ccccn1)C1CCNCC1

Chemical Information

4-chloro-1-(4-piperidyl)-N-(5-(2-pyridyl)-1H-pyrazol-4-yl)pyrazole-3-carboxamide

inhibits myotonic dystrophy kinase-related CDC42-binding kinase (MRCK); structure in first source

CAS Number	1817698-21-7
PubChem CID	85325326
IUPAC Name	4-chloro-1-piperidin-4-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
Molecular Formula	C17H18ClN7O
Molecular Weight	371.8
XLogP	1
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	490

SMILES

C1CNCCC1N2C=C(C(=N2)C(=O)NC3=C(NN=C3)C4=CC=CC=N4)Cl

InChI

InChI=1S/C17H18ClN7O/c18-12-10-25(11-4-7-19-8-5-11)24-15(12)17(26)22-14-9-21-23-16(14)13-3-1-2-6-20-13/h1-3,6,9-11,19H,4-5,7-8H2,(H,21,23)(H,22,26)

InChIKey

BPVZKUXLOLRECL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1817698-21-7

CID: 85325326

Formula: C17H18ClN7O

MW: 371.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	371.8
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	371.1261359
Monoisotopic Mass	371.1261359
Topological Polar Surface Area	101 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	490
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