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CAT: 0127-BUP03844-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03844-01Size:5 mg

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CAS Number

875634-01-8

Purity

=98%

Smiles

O=C(C1=CN=CC(=C1)C2=CN=C3NC=C(C=4C=CC=CC4OC)C3=C2)N(C)C

Chemical Information

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide

CAS Number	875634-01-8
PubChem CID	16750094
IUPAC Name	5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
Molecular Formula	C22H20N4O2
Molecular Weight	372.4
XLogP	2.9
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	543

SMILES

CN(C)C(=O)C1=CN=CC(=C1)C2=CC3=C(NC=C3C4=CC=CC=C4OC)N=C2

InChI

InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)

InChIKey

GYQRHHQPEMOLKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 875634-01-8

CID: 16750094

Formula: C22H20N4O2

MW: 372.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	372.15862589
Monoisotopic Mass	372.15862589
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	543
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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