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DMH-1 500mg

CAT: 0628-A12820-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A12820-500Size:500 mg
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CAS Number
1206711-16-1

Chemical Information

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

DMH1 is a pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine bearing quinolin-4-yl and 4-isopropyloxyphenyl substituents at positions 3 and 6 respectively. It has a role as an antineoplastic agent, a protein kinase inhibitor and a bone morphogenetic protein receptor antagonist. It is a member of quinolines, an aromatic ether and a pyrazolopyrimidine.

CAS Number1206711-16-1
PubChem CID50997747
IUPAC Name4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Molecular FormulaC24H20N4O
Molecular Weight380.4
XLogP4.6
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2
InChI
InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
InChIKey
JMIFGARJSWXZSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CAS: 1206711-16-1
CID: 50997747
Formula: C24H20N4O
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass380.16371127
Monoisotopic Mass380.16371127
Topological Polar Surface Area52.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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