BAY-524 50mg

CAT: 0628-A19702-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19702-50Size:50 mg

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CAS Number

1445830-39-6

Chemical Information

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

CAS Number	1445830-39-6
PubChem CID	71611179
IUPAC Name	2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
Molecular Formula	C24H24F2N6O3
Molecular Weight	482.5
XLogP	3.8
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	636

SMILES

CCOC1=CC(=C(C(=C1)F)CN2C(=C(C(=N2)C3=NC=C(C(=N3)NC4=CC=NC=C4)OC)C)OC)F

InChI

InChI=1S/C24H24F2N6O3/c1-5-35-16-10-18(25)17(19(26)11-16)13-32-24(34-4)14(2)21(31-32)23-28-12-20(33-3)22(30-23)29-15-6-8-27-9-7-15/h6-12H,5,13H2,1-4H3,(H,27,28,29,30)

InChIKey

LMRCQVHTZUUHFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1445830-39-6

CID: 71611179

Formula: C24H24F2N6O3

MW: 482.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.5
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	482.18779497
Monoisotopic Mass	482.18779497
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	636
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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GTR19150250-01	GAD65 (524-543) acetate
HY-P5396A-01	GAD65 (524-543) (acetate)
CRB1300299	KDM1A (508-524) Heavy
CRB1300298-01	KDM1A (508-524) Light

BAY-524 50mg

Chemical Information

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