CP 94253 hydrochloride

CAT: 0024-sc-203905Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203905Size:10 mg

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CAS Number

131084-35-0

Chemical Information

3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine

5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine is a pyrrolopyridine.

CAS Number	131084-35-0
PubChem CID	4029677
IUPAC Name	5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
Molecular Formula	C15H19N3O
Molecular Weight	257.33
XLogP	2
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	331

SMILES

CCCOC1=NC2=C(C=C1)NC=C2C3=CCNCC3

InChI

InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3

InChIKey

KWQWBZIGHIOKIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131084-35-0

CID: 4029677

Formula: C15H19N3O

MW: 257.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.33
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.152812238
Monoisotopic Mass	257.152812238
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	331
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

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