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NVP-ADW742

CAT: 0024-sc-391129ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391129ASize:10 mg
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CAS Number
475488-23-4

Chemical Information

Nvp-adw742

an IGF-I receptor kinase inhibitor

CAS Number475488-23-4
PubChem CID9825149
IUPAC Name5-(3-phenylmethoxyphenyl)-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC28H31N5O
Molecular Weight453.6
XLogP4.6
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity645
SMILES
C1CCN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C28H31N5O/c29-27-26-25(22-9-6-10-24(15-22)34-18-20-7-2-1-3-8-20)17-33(28(26)31-19-30-27)23-13-21(14-23)16-32-11-4-5-12-32/h1-3,6-10,15,17,19,21,23H,4-5,11-14,16,18H2,(H2,29,30,31)
InChIKey
LSFLAQVDISHMNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-adw742
CAS: 475488-23-4
CID: 9825149
Formula: C28H31N5O
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass453.25286063
Monoisotopic Mass453.25286063
Topological Polar Surface Area69.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity645
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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