APY0201 10mg

CAT: 0628-A16268-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A16268-10Size:10 mg

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CAS Number

1232221-74-7

Chemical Information

Apy0201

a small molecular IL-12/23 inhibitor with pyrazolo[1,5-a]pyrimidine core; structure in first source

CAS Number	1232221-74-7
PubChem CID	56927660
IUPAC Name	N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
Molecular Formula	C23H23N7O
Molecular Weight	413.5
XLogP	3.3
Topological Polar Surface Area	79.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	592

SMILES

CC1=CC(=CC=C1)/C=N/NC2=NC3=CC(=NN3C(=C2)N4CCOCC4)C5=CC=NC=C5

InChI

InChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)16-25-27-21-15-23(29-9-11-31-12-10-29)30-22(26-21)14-20(28-30)19-5-7-24-8-6-19/h2-8,13-16H,9-12H2,1H3,(H,26,27)/b25-16+

InChIKey

RFZQYGBLRIKROZ-PCLIKHOPSA-N

Chemical Structure

2D Structure

CAS: 1232221-74-7

CID: 56927660

Formula: C23H23N7O

MW: 413.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.5
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	413.19640838
Monoisotopic Mass	413.19640838
Topological Polar Surface Area	79.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	592
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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APY0201 10mg

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