CAS RN: 934343-74-5
NVP-HSP990(HSP990)
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7 package records5 with current stock2 grade groups
- Product code: starshine_CAS934343-74-5
- Purity/Analytical Methods: >99.0%
934343-74-5 / 2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
Basic Information
CAS
934343-74-5
Multi CAS
Yes
Molecular Formula
C20FH18N5O2
Molecular Weight
379.400000
Exact Mass
379.144453
InChI
InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
InChIKey
WSMQUUGTQYPVPD-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
101.28
TPSA
103.02
LogP / Solubility
WLOGP
2.6
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 934353-76-1 6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934353-76-1.gif)
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