KDM5-IN-1

CAT: 0926-DQC21026-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-DQC21026-01Size:10 mg

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

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CAS Number

1628210-26-3

MDL Number

MFCD30747843

Smiles

CC (C) C1=C (N=C2C (=CNN2C1=O) C#N) C3=CN (N=C3) C (C) (C) C

Molecular Formula

C17H20N6O

Molecular Weight

324.38 g/mol

Controlled

Chemical Information

Kdm5-IN-1

CAS Number	1628210-26-3
PubChem CID	118908379
IUPAC Name	5-(1-tert-butylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Molecular Formula	C17H20N6O
Molecular Weight	324.4
XLogP	1.6
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	715

SMILES

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CN(N=C3)C(C)(C)C

InChI

InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,20H,1-5H3

InChIKey

YQCOPPONWZNBQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1628210-26-3

CID: 118908379

Formula: C17H20N6O

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	324.16985928
Monoisotopic Mass	324.16985928
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	715
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