IACS-8968 1mg

CAT: 0628-A20020-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A20020-1Size:1 mg

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CAS Number

2144425-14-7

Chemical Information

6,6-Dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CAS Number	2144425-14-7
PubChem CID	132060309
IUPAC Name	6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Molecular Formula	C17H18F3N5O2
Molecular Weight	381.35
XLogP	3.1
Topological Polar Surface Area	78.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	27
Formal Charge	0
Complexity	655

SMILES

CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C

InChI

InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)

InChIKey

UBMTZODMRPHSBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2144425-14-7

CID: 132060309

Formula: C17H18F3N5O2

MW: 381.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.35
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	381.14125932
Monoisotopic Mass	381.14125932
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	655
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes