TAK-915

CAT: 0607-BA8180-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8180-5Size:5 mg

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

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CAS Number

1476727-50-0

Form

A solid

Molecular Formula

C19H18F4N4O5

Molecular Weight

458.36

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Tak-915

a phosphodiesterase 2A inhibitor; structure in first source

CAS Number	1476727-50-0
PubChem CID	72190879
IUPAC Name	N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
Molecular Formula	C19H18F4N4O5
Molecular Weight	458.4
XLogP	2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	670

SMILES

COC[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OC

InChI

InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1

InChIKey

AWJSRXUQLSPAOI-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 1476727-50-0

CID: 72190879

Formula: C19H18F4N4O5

MW: 458.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	458.12133234
Monoisotopic Mass	458.12133234
Topological Polar Surface Area	102 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	670
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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TAK-915

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