BAY1217389 5mg

CAT: 0628-A21595-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21595-5Size:5 mg

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CAS Number

1554458-53-5

Chemical Information

Bay-1217389

CAS Number	1554458-53-5
PubChem CID	78320750
IUPAC Name	N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
Molecular Formula	C27H24F5N5O3
Molecular Weight	561.5
XLogP	5.7
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	40
Formal Charge	0
Complexity	867

SMILES

CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5

InChI

InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)

InChIKey

WNEILUNVMHVMPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1554458-53-5

CID: 78320750

Formula: C27H24F5N5O3

MW: 561.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	561.5
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	561.17993045
Monoisotopic Mass	561.17993045
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	867
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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BAY1217389 5mg

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