VU6007477

CAT: 0127-BUP23589-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23589-06Size:200 mg

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

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CAS Number

2220141-46-6

Synonyms

VU 6007477, VU-6007477, VU6007477

Purity

≥98%

Smiles

O=C (NC1CCOCC1) C=2N=C3C (C=CN3C) =C (C2) CC=4C=NC (=CC4) C=5C=NN (C5) C

Chemical Information

1-Methyl-4-((6-(1-methyl-1H-pyrazol-4-YL)pyridin-3-YL)methyl)-N-(tetrahydro-2H-pyran-4-YL)-1H-pyrrolo[2,3-B]pyridine-6-carboxamide

CAS Number	2220141-46-6
PubChem CID	137701968
IUPAC Name	1-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
Molecular Formula	C24H26N6O2
Molecular Weight	430.5
XLogP	2.1
Topological Polar Surface Area	86.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	644

SMILES

CN1C=CC2=C1N=C(C=C2CC3=CN=C(C=C3)C4=CN(N=C4)C)C(=O)NC5CCOCC5

InChI

InChI=1S/C24H26N6O2/c1-29-8-5-20-17(11-16-3-4-21(25-13-16)18-14-26-30(2)15-18)12-22(28-23(20)29)24(31)27-19-6-9-32-10-7-19/h3-5,8,12-15,19H,6-7,9-11H2,1-2H3,(H,27,31)

InChIKey

OYSPYZFYHUIBOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2220141-46-6

CID: 137701968

Formula: C24H26N6O2

MW: 430.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	430.5
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	430.21172409
Monoisotopic Mass	430.21172409
Topological Polar Surface Area	86.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	644
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

Alternative Products

Catalog	Name
MBS5812325	VU6007477

VU6007477

Chemical Information

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